6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide

C25H25N5O3 — CID 174820378

IUPAC6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide
SMILESC=CC(=O)C1CCN(c2ccc(C(N)=O)c(Nc3ccc(Oc4ccccc4)cc3)n2)C1N
InChIInChI=1S/C25H25N5O3/c1-2-21(31)19-14-15-30(23(19)26)22-13-12-20(24(27)32)25(29-22)28-16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-13,19,23H,1,14-15,26H2,(H2,27,32)(H,28,29)
InChIKeyOKPKKONNAYZEMF-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.58
Rot. Bonds8

About 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide

6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide (PubChem CID 174820378) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide
PubChem CID174820378
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide
SMILESC=CC(=O)C1CCN(c2ccc(C(N)=O)c(Nc3ccc(Oc4ccccc4)cc3)n2)C1N
InChIInChI=1S/C25H25N5O3/c1-2-21(31)19-14-15-30(23(19)26)22-13-12-20(24(27)32)25(29-22)28-16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-13,19,23H,1,14-15,26H2,(H2,27,32)(H,28,29)
InChIKeyOKPKKONNAYZEMF-UHFFFAOYSA-N
XLogP3.58
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)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

Related Compounds

2-(4-phenoxyphenoxy)-6-[(1S)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyridine-3-carboxamide
CID 138722523
6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043277
6-(3-methoxy-1-prop-2-enoylpiperidin-4-yl)-2-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 170639729
6-[3-(3-methylbut-2-enoyl)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043181
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118039077
6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 118043235
2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118043167
1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 1314895
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
tert-butyl N-[(3S)-1-[5-carbamoyl-6-(4-phenoxyphenoxy)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 118043280
1-[(3S)-3-[6-amino-2-(4-phenoxyanilino)purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 118420694

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide (CID 174820378) is 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide is C=CC(=O)C1CCN(c2ccc(C(N)=O)c(Nc3ccc(Oc4ccccc4)cc3)n2)C1N.
What is the InChIKey of 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide?
The InChIKey is OKPKKONNAYZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-2-21(31)19-14-15-30(23(19)26)22-13-12-20(24(27)32)25(29-22)28-16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h2-13,19,23H,1,14-15,26H2,(H2,27,32)(H,28,29).
What are the key properties of 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide?
6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-prop-2-enoylpyrrolidin-1-yl)-2-(4-phenoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 174820378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).