5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

C16H20ClN3O — CID 118392663

IUPAC5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cc(Cl)cnc1NC1(C)CC1
InChIInChI=1S/C16H20ClN3O/c1-5-15(3,6-2)20-14(21)12-9-11(17)10-18-13(12)19-16(4)7-8-16/h1,9-10H,6-8H2,2-4H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyQFUKWPCEXGKDTI-HNNXBMFYSA-N
MW305.81 g/mol
LogP3.23
Rot. Bonds5

About 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (PubChem CID 118392663) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
PubChem CID118392663
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cc(Cl)cnc1NC1(C)CC1
InChIInChI=1S/C16H20ClN3O/c1-5-15(3,6-2)20-14(21)12-9-11(17)10-18-13(12)19-16(4)7-8-16/h1,9-10H,6-8H2,2-4H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyQFUKWPCEXGKDTI-HNNXBMFYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-difluorocyclopentyl)amino]-5-fluoro-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118392637
5-chloro-N-(2-methylbut-3-yn-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyridine-3-carboxamide;5-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyridine-3-carboxylic acid
CID 161034847
4-chloro-N-(2-cyanobutan-2-yl)-6-methylpyridine-3-carboxamide
CID 113347503
2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118394246
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 4303275
3,4,5-trimethoxy-N-[(3S)-3-methylpent-1-yn-3-yl]benzamide
CID 709973
2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118394249
6-bromo-N-(3-methylpent-1-yn-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5019178
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612
methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
CID 19791897

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (CID 118392663) is 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is C#C[C@@](C)(CC)NC(=O)c1cc(Cl)cnc1NC1(C)CC1.
What is the InChIKey of 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The InChIKey is QFUKWPCEXGKDTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-5-15(3,6-2)20-14(21)12-9-11(17)10-18-13(12)19-16(4)7-8-16/h1,9-10H,6-8H2,2-4H3,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-methylcyclopropyl)amino]-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118392663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).