2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

C19H20ClN3O2 — CID 118394246

IUPAC2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-5-19(3,6-2)23-18(24)14-8-7-11-21-17(14)22-13-9-10-16(25-4)15(20)12-13/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m0/s1
InChIKeyUIBLWLJTUPFGRC-IBGZPJMESA-N
MW357.84 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (PubChem CID 118394246) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
PubChem CID118394246
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-5-19(3,6-2)23-18(24)14-8-7-11-21-17(14)22-13-9-10-16(25-4)15(20)12-13/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m0/s1
InChIKeyUIBLWLJTUPFGRC-IBGZPJMESA-N
XLogP4.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118394249
5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118392722
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
2-[4-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]oxy]-3-chloroanilino]pyridine-3-carboxylic acid
CID 175583235
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 2396231
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (CID 118394246) is 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is C#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The InChIKey is UIBLWLJTUPFGRC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-5-19(3,6-2)23-18(24)14-8-7-11-21-17(14)22-13-9-10-16(25-4)15(20)12-13/h1,7-12H,6H2,2-4H3,(H,21,22)(H,23,24)/t19-/m0/s1.
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118394246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).