N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide

C25H36N6O — CID 140701990

IUPACN-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cc(NC(=O)c4ccccn4)ccn3)CC2C)CC1
InChIInChI=1S/C25H36N6O/c1-19(2)29-15-9-22(10-16-29)31-14-6-13-30(18-20(31)3)24-17-21(8-12-27-24)28-25(32)23-7-4-5-11-26-23/h4-5,7-8,11-12,17,19-20,22H,6,9-10,13-16,18H2,1-3H3,(H,27,28,32)
InChIKeyRHQOAGNAZWLFKW-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.50
Rot. Bonds5

About N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide

N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 140701990) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
PubChem CID140701990
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3cc(NC(=O)c4ccccn4)ccn3)CC2C)CC1
InChIInChI=1S/C25H36N6O/c1-19(2)29-15-9-22(10-16-29)31-14-6-13-30(18-20(31)3)24-17-21(8-12-27-24)28-25(32)23-7-4-5-11-26-23/h4-5,7-8,11-12,17,19-20,22H,6,9-10,13-16,18H2,1-3H3,(H,27,28,32)
InChIKeyRHQOAGNAZWLFKW-UHFFFAOYSA-N
XLogP3.50
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
CID 69250731
N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 140802572
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide
CID 140718667
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-[4-[3-[amino(methylsulfonyl)methyl]piperidin-1-yl]quinazolin-6-yl]pyridine-2-carboxamide
CID 139577521
N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide (CID 140701990) is N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide is CC(C)N1CCC(N2CCCN(c3cc(NC(=O)c4ccccn4)ccn3)CC2C)CC1.
What is the InChIKey of N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is RHQOAGNAZWLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-19(2)29-15-9-22(10-16-29)31-14-6-13-30(18-20(31)3)24-17-21(8-12-27-24)28-25(32)23-7-4-5-11-26-23/h4-5,7-8,11-12,17,19-20,22H,6,9-10,13-16,18H2,1-3H3,(H,27,28,32).
What are the key properties of N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide?
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 140701990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).