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

C17H14ClN5O — CID 109258736

IUPACN-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-6-1-2-7-15(14)23-16(24)12-9-20-17(21-10-12)22-11-13-5-3-4-8-19-13/h1-10H,11H2,(H,23,24)(H,20,21,22)
InChIKeyDTMPXMHXFMBEIA-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258736) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258736
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-6-1-2-7-15(14)23-16(24)12-9-20-17(21-10-12)22-11-13-5-3-4-8-19-13/h1-10H,11H2,(H,23,24)(H,20,21,22)
InChIKeyDTMPXMHXFMBEIA-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-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
N-(2,5-dichlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235186
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109258736) is N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NCc2ccccn2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is DTMPXMHXFMBEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-6-1-2-7-15(14)23-16(24)12-9-20-17(21-10-12)22-11-13-5-3-4-8-19-13/h1-10H,11H2,(H,23,24)(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-(pyridin-2-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-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).