cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide

C15H21N3O2 — CID 51729582

IUPACcis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)[C@H]1C[C@H]1C)c1ccccn1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(10)15(20)17-8-6-14(19)18-11(2)13-5-3-4-7-16-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,17,20)(H,18,19)/t10-,11+,12+/m1/s1
InChIKeyYDVOCUNPEILAJE-WOPDTQHZSA-N
MW275.35 g/mol
LogP1.42
Rot. Bonds6

About cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide (PubChem CID 51729582) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
PubChem CID51729582
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namecis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)[C@H]1C[C@H]1C)c1ccccn1
InChIInChI=1S/C15H21N3O2/c1-10-9-12(10)15(20)17-8-6-14(19)18-11(2)13-5-3-4-7-16-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,17,20)(H,18,19)/t10-,11+,12+/m1/s1
InChIKeyYDVOCUNPEILAJE-WOPDTQHZSA-N
XLogP1.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
CID 94625593
N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103944596
cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94618604
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide (CID 51729582) is cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)CCNC(=O)[C@H]1C[C@H]1C)c1ccccn1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is YDVOCUNPEILAJE-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-12(10)15(20)17-8-6-14(19)18-11(2)13-5-3-4-7-16-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,17,20)(H,18,19)/t10-,11+,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51729582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).