2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide

C18H30N4O — CID 120869661

IUPAC2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C18H30N4O/c1-3-21(4-2)18(23)15-22(14-16-8-5-6-12-20-16)17-9-7-11-19-13-10-17/h5-6,8,12,17,19H,3-4,7,9-11,13-15H2,1-2H3
InChIKeyWVYCSDRIBXWGNS-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.89
Rot. Bonds7

About 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide

2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide (PubChem CID 120869661) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
PubChem CID120869661
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C18H30N4O/c1-3-21(4-2)18(23)15-22(14-16-8-5-6-12-20-16)17-9-7-11-19-13-10-17/h5-6,8,12,17,19H,3-4,7,9-11,13-15H2,1-2H3
InChIKeyWVYCSDRIBXWGNS-UHFFFAOYSA-N
XLogP1.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(3,3-dimethylbutyl)-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 120844899
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
2-[[azepan-4-yl(pyridin-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol;hydrochloride
CID 129002660
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129332327
N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine;hydrochloride
CID 129004801
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N-(3-propan-2-yloxypropyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 128967835
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide (CID 120869661) is 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(Cc1ccccn1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide?
The InChIKey is WVYCSDRIBXWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-21(4-2)18(23)15-22(14-16-8-5-6-12-20-16)17-9-7-11-19-13-10-17/h5-6,8,12,17,19H,3-4,7,9-11,13-15H2,1-2H3.
What are the key properties of 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide?
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide has a molecular weight of 318.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 120869661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).