N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C21H26FN5O5S — CID 54735068

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26FN5O5S/c22-15-8-6-14(7-9-15)13-23-20(29)17-18(28)21(30)27-12-4-5-16(19(27)24-17)25-33(31,32)26-10-2-1-3-11-26/h6-9,16,25,28H,1-5,10-13H2,(H,23,29)
InChIKeyCMEIQSOYGKCKMF-UHFFFAOYSA-N
MW479.53 g/mol
LogP1.17
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54735068) has the molecular formula C21H26FN5O5S and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54735068
Molecular FormulaC21H26FN5O5S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26FN5O5S/c22-15-8-6-14(7-9-15)13-23-20(29)17-18(28)21(30)27-12-4-5-16(19(27)24-17)25-33(31,32)26-10-2-1-3-11-26/h6-9,16,25,28H,1-5,10-13H2,(H,23,29)
InChIKeyCMEIQSOYGKCKMF-UHFFFAOYSA-N
XLogP1.17
TPSA133.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 142913922
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680810
9-[(dimethylamino-methyl-methylidene-λ5-phosphanyl)-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 142913907
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-[methyl-(1-methylimidazole-2-carbonyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 59771028
N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 54720034
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)oxamide
CID 59771051
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-methyl-4-oxo-9-(phenylmethoxymethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686290
9-[(dimethylamino)methyl]-8-[2-(dimethylamino)-2-oxoacetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686291
N-[(3-bromo-4-fluorophenyl)methyl]-9-[(dimethylamino-methylidene-oxo-λ6-sulfanyl)-methylamino]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 142913899
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-methylsulfonyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698279

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54735068) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCCC2NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CMEIQSOYGKCKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O5S/c22-15-8-6-14(7-9-15)13-23-20(29)17-18(28)21(30)27-12-4-5-16(19(27)24-17)25-33(31,32)26-10-2-1-3-11-26/h6-9,16,25,28H,1-5,10-13H2,(H,23,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(piperidin-1-ylsulfonylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54735068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).