N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C18H15ClN4O — CID 109212879

IUPACN-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C18H15ClN4O/c19-15-6-1-2-7-16(15)23-18(24)17-11-13(8-10-21-17)22-12-14-5-3-4-9-20-14/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyIXNWHIOLXZDQDM-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109212879) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109212879
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C18H15ClN4O/c19-15-6-1-2-7-16(15)23-18(24)17-11-13(8-10-21-17)22-12-14-5-3-4-9-20-14/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyIXNWHIOLXZDQDM-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210580
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109212879) is N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc(NCc2ccccn2)ccn1.
What is the InChIKey of N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is IXNWHIOLXZDQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-15-6-1-2-7-16(15)23-18(24)17-11-13(8-10-21-17)22-12-14-5-3-4-9-20-14/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109212879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).