5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

C18H28N4O2 — CID 109185693

IUPAC5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H28N4O2/c23-18(19-7-10-21-11-13-24-14-12-21)17-6-5-16(15-20-17)22-8-3-1-2-4-9-22/h5-6,15H,1-4,7-14H2,(H,19,23)
InChIKeyQZLCFKUCRUAINZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.52
Rot. Bonds5

About 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109185693) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109185693
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C18H28N4O2/c23-18(19-7-10-21-11-13-24-14-12-21)17-6-5-16(15-20-17)22-8-3-1-2-4-9-22/h5-6,15H,1-4,7-14H2,(H,19,23)
InChIKeyQZLCFKUCRUAINZ-UHFFFAOYSA-N
XLogP1.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109183423
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
5-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185766
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 109185693) is 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is QZLCFKUCRUAINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(19-7-10-21-11-13-24-14-12-21)17-6-5-16(15-20-17)22-8-3-1-2-4-9-22/h5-6,15H,1-4,7-14H2,(H,19,23).
What are the key properties of 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).