N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C20H18ClFN4O — CID 169024699

IUPACN-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-12-11-25-18(10-15(12)13-4-7-24-17(21)9-13)26-19(27)14-5-6-23-16(8-14)20(2,3)22/h4-11H,1-3H3,(H,25,26,27)
InChIKeyZYHNUMKZMFLLPB-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.96
Rot. Bonds4

About N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 169024699) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID169024699
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC NameN-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-12-11-25-18(10-15(12)13-4-7-24-17(21)9-13)26-19(27)14-5-6-23-16(8-14)20(2,3)22/h4-11H,1-3H3,(H,25,26,27)
InChIKeyZYHNUMKZMFLLPB-UHFFFAOYSA-N
XLogP4.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[5-(2-chloro-4-pyridinyl)-2-fluorophenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;fluoromethane
CID 168930044
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide
CID 169024567
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 169024699) is N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1cnc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(Cl)c1.
What is the InChIKey of N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is ZYHNUMKZMFLLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-12-11-25-18(10-15(12)13-4-7-24-17(21)9-13)26-19(27)14-5-6-23-16(8-14)20(2,3)22/h4-11H,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-pyridinyl)-5-methyl-2-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 169024699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).