2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

C20H23N5O2 — CID 118039077

IUPAC2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC=CC(=O)NC1CCN(c2ccc(C(N)=O)c(Nc3cccc(C)c3)n2)C1
InChIInChI=1S/C20H23N5O2/c1-3-18(26)22-15-9-10-25(12-15)17-8-7-16(19(21)27)20(24-17)23-14-6-4-5-13(2)11-14/h3-8,11,15H,1,9-10,12H2,2H3,(H2,21,27)(H,22,26)(H,23,24)
InChIKeyDWEUXKSSUFDJMP-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 118039077) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID118039077
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC=CC(=O)NC1CCN(c2ccc(C(N)=O)c(Nc3cccc(C)c3)n2)C1
InChIInChI=1S/C20H23N5O2/c1-3-18(26)22-15-9-10-25(12-15)17-8-7-16(19(21)27)20(24-17)23-14-6-4-5-13(2)11-14/h3-8,11,15H,1,9-10,12H2,2H3,(H2,21,27)(H,22,26)(H,23,24)
InChIKeyDWEUXKSSUFDJMP-UHFFFAOYSA-N
XLogP2.11
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 118039077) is 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is C=CC(=O)NC1CCN(c2ccc(C(N)=O)c(Nc3cccc(C)c3)n2)C1.
What is the InChIKey of 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is DWEUXKSSUFDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-18(26)22-15-9-10-25(12-15)17-8-7-16(19(21)27)20(24-17)23-14-6-4-5-13(2)11-14/h3-8,11,15H,1,9-10,12H2,2H3,(H2,21,27)(H,22,26)(H,23,24).
What are the key properties of 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118039077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).