N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide

C14H11BrN4O — CID 141196436

IUPACN-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C(=O)n1ccc2cncnc21)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4O/c1-18(12-4-2-11(15)3-5-12)14(20)19-7-6-10-8-16-9-17-13(10)19/h2-9H,1H3
InChIKeyIONPAMPFDAUIQC-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.30
Rot. Bonds1

About N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide

N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 141196436) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID141196436
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCN(C(=O)n1ccc2cncnc21)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN4O/c1-18(12-4-2-11(15)3-5-12)14(20)19-7-6-10-8-16-9-17-13(10)19/h2-9H,1H3
InChIKeyIONPAMPFDAUIQC-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187230
(S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187232
N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44542628
N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57045449
N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162362123
3-Bromo-1-methyl-7-azaindole
CID 11229587
cis-N-(3-bromophenyl)-2,6-dimethyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44542471
1-(4-Bromophenyl)-3-[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)phenyl]urea
CID 137632628
N-(2-bromophenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11405903
2-(4-Bromophenyl)-N,N-dimethyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390266
7-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 14728543
1-(1-benzyl-5-bromopyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
CID 145994109

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 141196436) is N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide is CN(C(=O)n1ccc2cncnc21)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is IONPAMPFDAUIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-18(12-4-2-11(15)3-5-12)14(20)19-7-6-10-8-16-9-17-13(10)19/h2-9H,1H3.
What are the key properties of N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide?
N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methylpyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 141196436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).