(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide

C19H28N4O — CID 129331309

IUPAC(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
SMILESCN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C19H28N4O/c1-22(15-17-9-4-5-12-20-17)18-10-6-13-23(14-11-18)19(24)21-16-7-2-3-8-16/h2-5,9,12,16,18H,6-8,10-11,13-15H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyBXVDGBRLJBAWBN-GOSISDBHSA-N
MW328.46 g/mol
LogP2.80
Rot. Bonds4

About (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide

(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide (PubChem CID 129331309) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
PubChem CID129331309
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
SMILESCN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C19H28N4O/c1-22(15-17-9-4-5-12-20-17)18-10-6-13-23(14-11-18)19(24)21-16-7-2-3-8-16/h2-5,9,12,16,18H,6-8,10-11,13-15H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyBXVDGBRLJBAWBN-GOSISDBHSA-N
XLogP2.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 129473994
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129002934
1-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 166764311
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
2-(cyclohexen-1-yl)-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]ethanone
CID 129007494

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide?
The IUPAC name of (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide (CID 129331309) is (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide.
What is the SMILES notation for (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide?
The canonical SMILES for (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide is CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NC2CC=CC2)CC1.
What is the InChIKey of (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide?
The InChIKey is BXVDGBRLJBAWBN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22(15-17-9-4-5-12-20-17)18-10-6-13-23(14-11-18)19(24)21-16-7-2-3-8-16/h2-5,9,12,16,18H,6-8,10-11,13-15H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide?
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide is sourced from PubChem (CID 129331309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).