5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide

C19H19N5O2 — CID 123845608

IUPAC5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1-c1cnc2[nH]cc(C=CC(N)=O)c2c1
InChIInChI=1S/C19H19N5O2/c1-11-14(5-6-16(23-11)19(26)24(2)3)13-8-15-12(4-7-17(20)25)9-21-18(15)22-10-13/h4-10H,1-3H3,(H2,20,25)(H,21,22)
InChIKeyMNTVUEOFQJUOIL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.13
Rot. Bonds4

About 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide

5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide (PubChem CID 123845608) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide
PubChem CID123845608
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1-c1cnc2[nH]cc(C=CC(N)=O)c2c1
InChIInChI=1S/C19H19N5O2/c1-11-14(5-6-16(23-11)19(26)24(2)3)13-8-15-12(4-7-17(20)25)9-21-18(15)22-10-13/h4-10H,1-3H3,(H2,20,25)(H,21,22)
InChIKeyMNTVUEOFQJUOIL-UHFFFAOYSA-N
XLogP2.13
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[5-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705584
(E)-3-[5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 172556695
3-[5-(4-acetyl-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123755666
3-[5-(2-methylsulfanylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123557660
(E)-3-[5-[4-(5-methylpyridine-2-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705583
(E)-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118264218
(E)-3-[5-[4-[(1S)-1-hydroxyethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267555
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 144894319
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 118264192
(E)-3-[5-(7-fluoroquinolin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267845
5-[3-[(E)-3-amino-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 118264207
(E)-3-[5-(3-methyl-5-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705573

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide (CID 123845608) is 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide is Cc1nc(C(=O)N(C)C)ccc1-c1cnc2[nH]cc(C=CC(N)=O)c2c1.
What is the InChIKey of 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide?
The InChIKey is MNTVUEOFQJUOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-14(5-6-16(23-11)19(26)24(2)3)13-8-15-12(4-7-17(20)25)9-21-18(15)22-10-13/h4-10H,1-3H3,(H2,20,25)(H,21,22).
What are the key properties of 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide?
5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 123845608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).