N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide

C18H20ClN3O2 — CID 131914327

IUPACN-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccncc2Cl)cccc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(17(24)22-18(2,3)4)6-5-7-15(11)21-16(23)13-8-9-20-10-14(13)19/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyUICYBMVGBXLMMU-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.82
Rot. Bonds3

About N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide

N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide (PubChem CID 131914327) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
PubChem CID131914327
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccncc2Cl)cccc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(17(24)22-18(2,3)4)6-5-7-15(11)21-16(23)13-8-9-20-10-14(13)19/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyUICYBMVGBXLMMU-UHFFFAOYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-tert-butyl-3-(carbamothioylamino)-2-methylbenzamide
CID 169356943
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
CID 77135119
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide (CID 131914327) is N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide is Cc1c(NC(=O)c2ccncc2Cl)cccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide?
The InChIKey is UICYBMVGBXLMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-12(17(24)22-18(2,3)4)6-5-7-15(11)21-16(23)13-8-9-20-10-14(13)19/h5-10H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide?
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 131914327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).