N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide

C27H34ClN7O3S — CID 145418497

IUPACN-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1CC(N2CCC(C)(CN)CC2)=NC=C1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl
InChIInChI=1S/C27H34ClN7O3S/c1-27(16-29)9-12-34(13-10-27)20-15-33(2)21(14-30-20)39-18-7-5-6-17(23(18)28)31-24(36)22-25(37)32-19-8-3-4-11-35(19)26(22)38/h5-7,14,37H,3-4,8-13,15-16,29H2,1-2H3,(H,31,36)
InChIKeyAAAIRHOYOHTGOK-UHFFFAOYSA-N
MW572.14 g/mol
LogP3.49
Rot. Bonds5

About N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 145418497) has the molecular formula C27H34ClN7O3S and a molecular weight of 572.14 g/mol. Its IUPAC name is N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID145418497
Molecular FormulaC27H34ClN7O3S
Molecular Weight572.14 g/mol
Exact Mass571.21
IUPAC NameN-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1CC(N2CCC(C)(CN)CC2)=NC=C1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl
InChIInChI=1S/C27H34ClN7O3S/c1-27(16-29)9-12-34(13-10-27)20-15-33(2)21(14-30-20)39-18-7-5-6-17(23(18)28)31-24(36)22-25(37)32-19-8-3-4-11-35(19)26(22)38/h5-7,14,37H,3-4,8-13,15-16,29H2,1-2H3,(H,31,36)
InChIKeyAAAIRHOYOHTGOK-UHFFFAOYSA-N
XLogP3.49
TPSA129.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.14
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 154826510
N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154826511
N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 154826514
N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154826517
N-[3-[[6-amino-2-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-1-methyl-2H-pyrazin-5-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251365
N-[2-chloro-3-[(E)-1,2-diamino-2-[(E)-1-[4-(aminomethyl)-4-fluoropiperidin-1-yl]propylideneamino]ethenyl]sulfanylphenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 145418446
N-[3-[[5-amino-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1,2-dihydropyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251399
N-[3-[[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-1-methyl-2H-1,2,4-triazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251403
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509488
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 139509532
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide
CID 139509533
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509547

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide (CID 145418497) is N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide is CN1CC(N2CCC(C)(CN)CC2)=NC=C1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl.
What is the InChIKey of N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AAAIRHOYOHTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN7O3S/c1-27(16-29)9-12-34(13-10-27)20-15-33(2)21(14-30-20)39-18-7-5-6-17(23(18)28)31-24(36)22-25(37)32-19-8-3-4-11-35(19)26(22)38/h5-7,14,37H,3-4,8-13,15-16,29H2,1-2H3,(H,31,36).
What are the key properties of N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 572.14 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145418497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).