N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide

C21H18ClF2N5O2 — CID 164934980

IUPACN-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(c2ccc(Cl)nc2)CCC1
InChIInChI=1S/C21H18ClF2N5O2/c1-31-14-4-6-18(26-13-9-16(23)27-17(24)10-13)28-19(14)20(30)29-21(7-2-8-21)12-3-5-15(22)25-11-12/h3-6,9-11H,2,7-8H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyNDDAWVBYFXWTNF-UHFFFAOYSA-N
MW445.86 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide

N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide (PubChem CID 164934980) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide
PubChem CID164934980
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC NameN-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(c2ccc(Cl)nc2)CCC1
InChIInChI=1S/C21H18ClF2N5O2/c1-31-14-4-6-18(26-13-9-16(23)27-17(24)10-13)28-19(14)20(30)29-21(7-2-8-21)12-3-5-15(22)25-11-12/h3-6,9-11H,2,7-8H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyNDDAWVBYFXWTNF-UHFFFAOYSA-N
XLogP4.36
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 155341435
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
CID 155350561
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
6-(3,5-difluoroanilino)-N-(2,3-dimethylbutan-2-yl)-3-methoxypyridine-2-carboxamide
CID 155350434
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 155352162
6-[4-[4-(1-adamantyl)-2-chloroanilino]anilino]-3-methoxypyridine-2-carboxylic acid
CID 155134642
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
CID 155727924
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide (CID 164934980) is N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide is COc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(c2ccc(Cl)nc2)CCC1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide?
The InChIKey is NDDAWVBYFXWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-31-14-4-6-18(26-13-9-16(23)27-17(24)10-13)28-19(14)20(30)29-21(7-2-8-21)12-3-5-15(22)25-11-12/h3-6,9-11H,2,7-8H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide?
N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 164934980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).