[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone

C16H25N3O — CID 96502046

IUPAC[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCC[C@@H](C)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)18-15-14(7-4-9-17-15)16(20)19-10-5-6-13(3)8-11-19/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNBSWATWQMBHKON-CYBMUJFWSA-N
MW275.40 g/mol
LogP3.16
Rot. Bonds3

About [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone

[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 96502046) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID96502046
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ncccc1C(=O)N1CCC[C@@H](C)CC1
InChIInChI=1S/C16H25N3O/c1-12(2)18-15-14(7-4-9-17-15)16(20)19-10-5-6-13(3)8-11-19/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyNBSWATWQMBHKON-CYBMUJFWSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 71990815
(3S,4S)-4-methyl-1-[2-(propan-2-ylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112300
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone (CID 96502046) is [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone is CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](C)CC1.
What is the InChIKey of [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is NBSWATWQMBHKON-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-15-14(7-4-9-17-15)16(20)19-10-5-6-13(3)8-11-19/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone?
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 96502046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).