4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

C17H26N4O2 — CID 109083611

IUPAC4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C17H26N4O2/c1-20(2)12-9-19-16(22)15-13-14(7-8-18-15)17(23)21-10-5-3-4-6-11-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeyDMMLDYMPZCDEQP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.39
Rot. Bonds5

About 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 109083611) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
PubChem CID109083611
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C17H26N4O2/c1-20(2)12-9-19-16(22)15-13-14(7-8-18-15)17(23)21-10-5-3-4-6-11-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeyDMMLDYMPZCDEQP-UHFFFAOYSA-N
XLogP1.39
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide (CID 109083611) is 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is DMMLDYMPZCDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)12-9-19-16(22)15-13-14(7-8-18-15)17(23)21-10-5-3-4-6-11-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide?
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109083611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).