N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H16N4O — CID 110475032

IUPACN-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)19-16(21)14-10-18-15-13(14)4-3-9-17-15/h3-10H,1-2H3,(H,17,18)(H,19,21)
InChIKeyOIRGKQWVZVXYIC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110475032) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110475032
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)19-16(21)14-10-18-15-13(14)4-3-9-17-15/h3-10H,1-2H3,(H,17,18)(H,19,21)
InChIKeyOIRGKQWVZVXYIC-UHFFFAOYSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162838
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
1-phenyl-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)thiourea
CID 58338482
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxamide
CID 110700946
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110475032) is N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OIRGKQWVZVXYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)12-7-5-11(6-8-12)19-16(21)14-10-18-15-13(14)4-3-9-17-15/h3-10H,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110475032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).