N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide

C25H36N6O — CID 140802572

IUPACN-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3ccc(CNC(=O)c4ccccn4)nc3)CC2)CC1
InChIInChI=1S/C25H36N6O/c1-20(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)23-8-7-21(27-19-23)18-28-25(32)24-6-3-4-11-26-24/h3-4,6-8,11,19-20,22H,5,9-10,12-18H2,1-2H3,(H,28,32)
InChIKeyFJQSXGAFYHJFQN-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.79
Rot. Bonds6

About N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide

N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 140802572) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID140802572
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CCCN(c3ccc(CNC(=O)c4ccccn4)nc3)CC2)CC1
InChIInChI=1S/C25H36N6O/c1-20(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)23-8-7-21(27-19-23)18-28-25(32)24-6-3-4-11-26-24/h3-4,6-8,11,19-20,22H,5,9-10,12-18H2,1-2H3,(H,28,32)
InChIKeyFJQSXGAFYHJFQN-UHFFFAOYSA-N
XLogP2.79
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 56962097
N-(2-fluoroethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 56961647
6-[4-[1-[(2S)-3,3-difluorobutan-2-yl]piperidin-4-yl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 167610792
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide
CID 140718667
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide (CID 140802572) is N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide is CC(C)N1CCC(N2CCCN(c3ccc(CNC(=O)c4ccccn4)nc3)CC2)CC1.
What is the InChIKey of N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is FJQSXGAFYHJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-20(2)29-14-9-22(10-15-29)30-12-5-13-31(17-16-30)23-8-7-21(27-19-23)18-28-25(32)24-6-3-4-11-26-24/h3-4,6-8,11,19-20,22H,5,9-10,12-18H2,1-2H3,(H,28,32).
What are the key properties of N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 140802572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).