N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide

C19H30N4O — CID 155391840

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
SMILESO=C(CNC1CCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H30N4O/c24-19(15-20-16-8-4-3-5-9-16)22-17-10-11-18(21-14-17)23-12-6-1-2-7-13-23/h10-11,14,16,20H,1-9,12-13,15H2,(H,22,24)
InChIKeyNUCKDCQUNKYXML-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.32
Rot. Bonds5

About N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide

N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide (PubChem CID 155391840) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
PubChem CID155391840
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
SMILESO=C(CNC1CCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H30N4O/c24-19(15-20-16-8-4-3-5-9-16)22-17-10-11-18(21-14-17)23-12-6-1-2-7-13-23/h10-11,14,16,20H,1-9,12-13,15H2,(H,22,24)
InChIKeyNUCKDCQUNKYXML-UHFFFAOYSA-N
XLogP3.32
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide (CID 155391840) is N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide is O=C(CNC1CCCCC1)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide?
The InChIKey is NUCKDCQUNKYXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(15-20-16-8-4-3-5-9-16)22-17-10-11-18(21-14-17)23-12-6-1-2-7-13-23/h10-11,14,16,20H,1-9,12-13,15H2,(H,22,24).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide has a molecular weight of 330.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 155391840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).