2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide

C20H17ClFN3O3 — CID 86670792

IUPAC2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)c2cnccc2-c2ccc(F)cc2OC)cc(Cl)n1
InChIInChI=1S/C20H17ClFN3O3/c1-25(20(26)12-8-18(21)24-19(9-12)28-3)16-11-23-7-6-14(16)15-5-4-13(22)10-17(15)27-2/h4-11H,1-3H3
InChIKeyRTKQNIKHPSYKFO-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.23
Rot. Bonds5

About 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide

2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 86670792) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide
PubChem CID86670792
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)c2cnccc2-c2ccc(F)cc2OC)cc(Cl)n1
InChIInChI=1S/C20H17ClFN3O3/c1-25(20(26)12-8-18(21)24-19(9-12)28-3)16-11-23-7-6-14(16)15-5-4-13(22)10-17(15)27-2/h4-11H,1-3H3
InChIKeyRTKQNIKHPSYKFO-UHFFFAOYSA-N
XLogP4.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 780197
CID 780197
CID 44409949
CID 44409949
CID 132547220
CID 132547220
CID 137635009
CID 137635009
CID 60196699
CID 60196699
CID 60196701
CID 60196701
CID 60196804
CID 60196804
CID 60196808
CID 60196808
CID 60196809
CID 60196809
CID 60196997
CID 60196997
CID 60197298
CID 60197298
CID 60197300
CID 60197300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide (CID 86670792) is 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide is COc1cc(C(=O)N(C)c2cnccc2-c2ccc(F)cc2OC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is RTKQNIKHPSYKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-25(20(26)12-8-18(21)24-19(9-12)28-3)16-11-23-7-6-14(16)15-5-4-13(22)10-17(15)27-2/h4-11H,1-3H3.
What are the key properties of 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide?
2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 401.83 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 86670792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).