N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C12H16N4O — CID 120829117

IUPACN-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H16N4O/c1-8(13-2)6-16-12(17)10-7-15-11-9(10)4-3-5-14-11/h3-5,7-8,13H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHSKSWCVMOCSVFA-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 120829117) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID120829117
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC(C)CNC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H16N4O/c1-8(13-2)6-16-12(17)10-7-15-11-9(10)4-3-5-14-11/h3-5,7-8,13H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHSKSWCVMOCSVFA-UHFFFAOYSA-N
XLogP0.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
CID 119360770
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
4-methyl-N-[2-(methylamino)propyl]quinoline-3-carboxamide
CID 120830745
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 120829117) is N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CNC(C)CNC(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HSKSWCVMOCSVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(13-2)6-16-12(17)10-7-15-11-9(10)4-3-5-14-11/h3-5,7-8,13H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 120829117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).