N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C15H15ClN4O — CID 154801278

IUPACN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C15H15ClN4O/c1-19-8-10(16)6-11(19)9-20(2)15(21)13-7-18-14-12(13)4-3-5-17-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyFRCMGPXBRHIHAB-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.83
Rot. Bonds3

About N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 154801278) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID154801278
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C15H15ClN4O/c1-19-8-10(16)6-11(19)9-20(2)15(21)13-7-18-14-12(13)4-3-5-17-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyFRCMGPXBRHIHAB-UHFFFAOYSA-N
XLogP2.83
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407
4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 167790661
2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 166404983
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 75468741
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]methanone
CID 75405119
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea
CID 71920725
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 154801278) is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FRCMGPXBRHIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-19-8-10(16)6-11(19)9-20(2)15(21)13-7-18-14-12(13)4-3-5-17-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 154801278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).