N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide

C13H18N4O — CID 66414448

IUPACN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
SMILESCCCNC(=O)CNCc1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O/c1-2-5-15-12(18)9-14-7-10-8-17-13-11(10)4-3-6-16-13/h3-4,6,8,14H,2,5,7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyYZEFPSXRGXQGQH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.18
Rot. Bonds6

About N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide

N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide (PubChem CID 66414448) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
PubChem CID66414448
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
SMILESCCCNC(=O)CNCc1c[nH]c2ncccc12
InChIInChI=1S/C13H18N4O/c1-2-5-15-12(18)9-14-7-10-8-17-13-11(10)4-3-6-16-13/h3-4,6,8,14H,2,5,7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyYZEFPSXRGXQGQH-UHFFFAOYSA-N
XLogP1.18
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]carbamate
CID 107241138
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
N-(2-piperazin-1-ylethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119447098
N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanesulfonamide
CID 114174786
N-ethyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]methanesulfonamide
CID 66416628
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide?
The IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide (CID 66414448) is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide is CCCNC(=O)CNCc1c[nH]c2ncccc12.
What is the InChIKey of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide?
The InChIKey is YZEFPSXRGXQGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-5-15-12(18)9-14-7-10-8-17-13-11(10)4-3-6-16-13/h3-4,6,8,14H,2,5,7,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide?
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 66414448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).