N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide

C21H22ClN3O2 — CID 78010103

IUPACN-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)C(CC1CC1)NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H22ClN3O2/c22-15-3-1-2-14(11-15)19-16(13-6-7-13)8-9-17(24-19)21(27)25-18(20(23)26)10-12-4-5-12/h1-3,8-9,11-13,18H,4-7,10H2,(H2,23,26)(H,25,27)
InChIKeySJPKKZTWMYDWGV-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.66
Rot. Bonds7

About N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide

N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide (PubChem CID 78010103) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide
PubChem CID78010103
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)C(CC1CC1)NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H22ClN3O2/c22-15-3-1-2-14(11-15)19-16(13-6-7-13)8-9-17(24-19)21(27)25-18(20(23)26)10-12-4-5-12/h1-3,8-9,11-13,18H,4-7,10H2,(H2,23,26)(H,25,27)
InChIKeySJPKKZTWMYDWGV-UHFFFAOYSA-N
XLogP3.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide with MolForge

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Related Compounds

methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
methyl 2-[[6-(3-chlorophenyl)-5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 68567971
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143199386
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-5-methylpyrazine-2-carboxamide
CID 67556738
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
3-cyclopropyl-2-[(6-pyrazol-1-ylpyridine-2-carbonyl)amino]propanoic acid
CID 120535926
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
CID 170446965
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 71093651
2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
CID 175696744

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide (CID 78010103) is N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide is NC(=O)C(CC1CC1)NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide?
The InChIKey is SJPKKZTWMYDWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-15-3-1-2-14(11-15)19-16(13-6-7-13)8-9-17(24-19)21(27)25-18(20(23)26)10-12-4-5-12/h1-3,8-9,11-13,18H,4-7,10H2,(H2,23,26)(H,25,27).
What are the key properties of N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide?
N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-cyclopropyl-1-oxopropan-2-yl)-6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 78010103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).