N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C19H24N4O — CID 129399021

IUPACN-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cn1
InChIInChI=1S/C19H24N4O/c1-15-7-8-16(13-22-15)19(24)23(14-17-5-2-3-11-21-17)18-6-4-10-20-12-9-18/h2-3,5,7-8,11,13,18,20H,4,6,9-10,12,14H2,1H3/t18-/m0/s1
InChIKeyOTPVERUZHHCXRR-SFHVURJKSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds4

About N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 129399021) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID129399021
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cn1
InChIInChI=1S/C19H24N4O/c1-15-7-8-16(13-22-15)19(24)23(14-17-5-2-3-11-21-17)18-6-4-10-20-12-9-18/h2-3,5,7-8,11,13,18,20H,4,6,9-10,12,14H2,1H3/t18-/m0/s1
InChIKeyOTPVERUZHHCXRR-SFHVURJKSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 129399021) is N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cn1.
What is the InChIKey of N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OTPVERUZHHCXRR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-8-16(13-22-15)19(24)23(14-17-5-2-3-11-21-17)18-6-4-10-20-12-9-18/h2-3,5,7-8,11,13,18,20H,4,6,9-10,12,14H2,1H3/t18-/m0/s1.
What are the key properties of N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 129399021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).