2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C17H14BrN5O — CID 109259175

IUPAC2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H14BrN5O/c18-14-1-3-15(4-2-14)23-17-21-10-13(11-22-17)16(24)20-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,20,24)(H,21,22,23)
InChIKeyLJJKJHRCJVSHQF-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259175) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259175
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2ccc(Br)cc2)nc1
InChIInChI=1S/C17H14BrN5O/c18-14-1-3-15(4-2-14)23-17-21-10-13(11-22-17)16(24)20-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,20,24)(H,21,22,23)
InChIKeyLJJKJHRCJVSHQF-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
N-(pyridin-4-ylmethyl)-4-(pyrimidin-2-ylamino)benzamide
CID 71701880
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
5-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191533
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259175) is 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccncc1)c1cnc(Nc2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is LJJKJHRCJVSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-14-1-3-15(4-2-14)23-17-21-10-13(11-22-17)16(24)20-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).