N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide

C18H22ClN3O2 — CID 109239364

IUPACN-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-13-7-12(9-20-10-13)17(23)22-18(2,3)4/h6-10,21H,1-5H3,(H,22,23)
InChIKeyIVDLPKLPZIXZOP-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide

N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide (PubChem CID 109239364) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
PubChem CID109239364
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-13-7-12(9-20-10-13)17(23)22-18(2,3)4/h6-10,21H,1-5H3,(H,22,23)
InChIKeyIVDLPKLPZIXZOP-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109239484
5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232606
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089227
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106946
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide (CID 109239364) is N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The InChIKey is IVDLPKLPZIXZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-13-7-12(9-20-10-13)17(23)22-18(2,3)4/h6-10,21H,1-5H3,(H,22,23).
What are the key properties of N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide?
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).