N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C17H14BrN5O — CID 109306960

IUPACN-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H14BrN5O/c18-12-4-6-13(7-5-12)22-16(24)15-8-10-20-17(23-15)21-11-14-3-1-2-9-19-14/h1-10H,11H2,(H,22,24)(H,20,21,23)
InChIKeyCSJSRYZYSVSIAX-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.50
Rot. Bonds5

About N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109306960) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109306960
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H14BrN5O/c18-12-4-6-13(7-5-12)22-16(24)15-8-10-20-17(23-15)21-11-14-3-1-2-9-19-14/h1-10H,11H2,(H,22,24)(H,20,21,23)
InChIKeyCSJSRYZYSVSIAX-UHFFFAOYSA-N
XLogP3.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312014
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306939
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109306960) is N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is CSJSRYZYSVSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-12-4-6-13(7-5-12)22-16(24)15-8-10-20-17(23-15)21-11-14-3-1-2-9-19-14/h1-10H,11H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).