N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

C18H25N3O2 — CID 95277971

IUPACN-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](c1cccnc1)N(C(=O)CN1CCCCCC1=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-14(15-6-5-10-19-12-15)21(16-8-9-16)18(23)13-20-11-4-2-3-7-17(20)22/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3/t14-/m0/s1
InChIKeyBMUPHCSLHPGJHH-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (PubChem CID 95277971) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
PubChem CID95277971
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](c1cccnc1)N(C(=O)CN1CCCCCC1=O)C1CC1
InChIInChI=1S/C18H25N3O2/c1-14(15-6-5-10-19-12-15)21(16-8-9-16)18(23)13-20-11-4-2-3-7-17(20)22/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3/t14-/m0/s1
InChIKeyBMUPHCSLHPGJHH-AWEZNQCLSA-N
XLogP2.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-4-pyridin-2-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95625250
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
N-cyclohexyl-N-methyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24580352
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(3-methylbutyl)-2-pyridin-3-ylacetamide
CID 3198494
3-[[2-(2-oxoazepan-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830738
N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 124733964
2-(2-oxopiperidin-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 134707822

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (CID 95277971) is N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is C[C@@H](c1cccnc1)N(C(=O)CN1CCCCCC1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is BMUPHCSLHPGJHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(15-6-5-10-19-12-15)21(16-8-9-16)18(23)13-20-11-4-2-3-7-17(20)22/h5-6,10,12,14,16H,2-4,7-9,11,13H2,1H3/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-oxoazepan-1-yl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 95277971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).