1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide

C20H18N4O2 — CID 162527377

IUPAC1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide
SMILESC=C(CNc1c(C(N)=O)ccc2ccc(-c3cccnc3)cc12)C(N)=O
InChIInChI=1S/C20H18N4O2/c1-12(19(21)25)10-24-18-16(20(22)26)7-6-13-4-5-14(9-17(13)18)15-3-2-8-23-11-15/h2-9,11,24H,1,10H2,(H2,21,25)(H2,22,26)
InChIKeyUTOHUDBMUGTINC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.45
Rot. Bonds6

About 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide

1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide (PubChem CID 162527377) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide
PubChem CID162527377
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide
SMILESC=C(CNc1c(C(N)=O)ccc2ccc(-c3cccnc3)cc12)C(N)=O
InChIInChI=1S/C20H18N4O2/c1-12(19(21)25)10-24-18-16(20(22)26)7-6-13-4-5-14(9-17(13)18)15-3-2-8-23-11-15/h2-9,11,24H,1,10H2,(H2,21,25)(H2,22,26)
InChIKeyUTOHUDBMUGTINC-UHFFFAOYSA-N
XLogP2.45
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-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

methyl 1-(2-cyanoprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxylate
CID 162526568
4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
CID 155552713
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
CID 90916200
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
CID 155554099
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
CID 71179866
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 59285878
2-pyridin-3-yl-1H-indole-4-carboxamide
CID 22014956

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide?
The IUPAC name of 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide (CID 162527377) is 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide?
The canonical SMILES for 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide is C=C(CNc1c(C(N)=O)ccc2ccc(-c3cccnc3)cc12)C(N)=O.
What is the InChIKey of 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide?
The InChIKey is UTOHUDBMUGTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(19(21)25)10-24-18-16(20(22)26)7-6-13-4-5-14(9-17(13)18)15-3-2-8-23-11-15/h2-9,11,24H,1,10H2,(H2,21,25)(H2,22,26).
What are the key properties of 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide?
1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 162527377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).