6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C19H27N5O — CID 42596308

IUPAC6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H27N5O/c1-3-23(15-18-20-10-13-22(18)2)19(25)16-8-9-17(21-14-16)24-11-6-4-5-7-12-24/h8-10,13-14H,3-7,11-12,15H2,1-2H3
InChIKeyXXHSBTVEKQWRCL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.86
Rot. Bonds5

About 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 42596308) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID42596308
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H27N5O/c1-3-23(15-18-20-10-13-22(18)2)19(25)16-8-9-17(21-14-16)24-11-6-4-5-7-12-24/h8-10,13-14H,3-7,11-12,15H2,1-2H3
InChIKeyXXHSBTVEKQWRCL-UHFFFAOYSA-N
XLogP2.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 45175764
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 74234797
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
CID 175641447
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 42596308) is 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CCN(Cc1nccn1C)C(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is XXHSBTVEKQWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-23(15-18-20-10-13-22(18)2)19(25)16-8-9-17(21-14-16)24-11-6-4-5-7-12-24/h8-10,13-14H,3-7,11-12,15H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42596308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).