N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide

C10H9N3O — CID 118117566

IUPACN-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc2[nH]ccc2cn1
InChIInChI=1S/C10H9N3O/c1-2-10(14)13-9-5-8-7(6-12-9)3-4-11-8/h2-6,11H,1H2,(H,12,13,14)
InChIKeyNYMRTYNAZSYVPA-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.69
Rot. Bonds2

About N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide

N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide (PubChem CID 118117566) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide
PubChem CID118117566
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc2[nH]ccc2cn1
InChIInChI=1S/C10H9N3O/c1-2-10(14)13-9-5-8-7(6-12-9)3-4-11-8/h2-6,11H,1H2,(H,12,13,14)
InChIKeyNYMRTYNAZSYVPA-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
CID 172683300
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
1H-pyrrolo[3,2-c]pyridin-6-ylphosphane
CID 138713057
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
CID 67687298
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
N-(6-fluoropyrazin-2-yl)prop-2-enamide
CID 167765847
N-(4-propyl-2-pyridinyl)prop-2-enamide
CID 176981976
N-[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]prop-2-enamide
CID 146081623
methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate
CID 134294558

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide?
The IUPAC name of N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide (CID 118117566) is N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide.
What is the SMILES notation for N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide?
The canonical SMILES for N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide is C=CC(=O)Nc1cc2[nH]ccc2cn1.
What is the InChIKey of N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide?
The InChIKey is NYMRTYNAZSYVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-10(14)13-9-5-8-7(6-12-9)3-4-11-8/h2-6,11H,1H2,(H,12,13,14).
What are the key properties of N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide?
N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide has a molecular weight of 187.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[3,2-c]pyridin-6-yl)prop-2-enamide is sourced from PubChem (CID 118117566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).