N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide

C17H14ClN5O — CID 109259024

IUPACN-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-4-1-5-15(7-14)23-16(24)13-10-21-17(22-11-13)20-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,23,24)(H,20,21,22)
InChIKeyCHBVVPWZBIPOML-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109259024) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109259024
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-4-1-5-15(7-14)23-16(24)13-10-21-17(22-11-13)20-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,23,24)(H,20,21,22)
InChIKeyCHBVVPWZBIPOML-UHFFFAOYSA-N
XLogP3.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (CID 109259024) is N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is CHBVVPWZBIPOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-4-1-5-15(7-14)23-16(24)13-10-21-17(22-11-13)20-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,23,24)(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).