N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

C17H12ClFN4O — CID 71841602

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12ClFN4O/c18-14-5-11(1-3-15(14)19)6-23-17(24)12-2-4-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24)
InChIKeyUXTXODKJBAALKW-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.26
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 71841602) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID71841602
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H12ClFN4O/c18-14-5-11(1-3-15(14)19)6-23-17(24)12-2-4-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24)
InChIKeyUXTXODKJBAALKW-UHFFFAOYSA-N
XLogP3.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 71841602) is N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc(-c2cncnc2)nc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is UXTXODKJBAALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-14-5-11(1-3-15(14)19)6-23-17(24)12-2-4-16(22-9-12)13-7-20-10-21-8-13/h1-5,7-10H,6H2,(H,23,24).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 71841602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).