N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

C14H13ClFN3O — CID 81240302

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-4-5-18-8-10(13)14(20)19-7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyHQQTYZKOMDEYLO-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81240302) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81240302
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c1-17-13-4-5-18-8-10(13)14(20)19-7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyHQQTYZKOMDEYLO-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (CID 81240302) is N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is HQQTYZKOMDEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-17-13-4-5-18-8-10(13)14(20)19-7-9-2-3-12(16)11(15)6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).