1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C18H17ClFN3O — CID 11267985

IUPAC1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1F
InChIInChI=1S/C18H17ClFN3O/c1-12-4-5-14(11-16(12)20)22-18(24)13-6-9-23(10-7-13)17-15(19)3-2-8-21-17/h2-6,8,11H,7,9-10H2,1H3,(H,22,24)
InChIKeyFYVQGKMMGKLASE-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11267985) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11267985
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1F
InChIInChI=1S/C18H17ClFN3O/c1-12-4-5-14(11-16(12)20)22-18(24)13-6-9-23(10-7-13)17-15(19)3-2-8-21-17/h2-6,8,11H,7,9-10H2,1H3,(H,22,24)
InChIKeyFYVQGKMMGKLASE-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11267985) is 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is FYVQGKMMGKLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-12-4-5-14(11-16(12)20)22-18(24)13-6-9-23(10-7-13)17-15(19)3-2-8-21-17/h2-6,8,11H,7,9-10H2,1H3,(H,22,24).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 345.81 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(3-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11267985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).