4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide

C18H23ClN4O — CID 3074385

IUPAC4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CCC)CCC
InChIInChI=1S/C18H23ClN4O/c1-4-9-20-17-14(18(24)23(11-5-2)12-6-3)15(19)13-8-7-10-21-16(13)22-17/h4,7-8,10H,1,5-6,9,11-12H2,2-3H3,(H,20,21,22)
InChIKeyZJXLUKUCHQLYSA-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.14
Rot. Bonds8

About 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide

4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide (PubChem CID 3074385) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
PubChem CID3074385
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CCC)CCC
InChIInChI=1S/C18H23ClN4O/c1-4-9-20-17-14(18(24)23(11-5-2)12-6-3)15(19)13-8-7-10-21-16(13)22-17/h4,7-8,10H,1,5-6,9,11-12H2,2-3H3,(H,20,21,22)
InChIKeyZJXLUKUCHQLYSA-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-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

13-[2-(2-Aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470751
JAK1 inhibitor 38a
CID 155757100
4-[[(2R,4R)-1-[(4-chlorophenyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162659181
N-[(1-butylpiperidin-4-yl)methyl]-6-chloroimidazo[1,2-a]pyridine-8-carboxamide
CID 9950216
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10131963
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10290951
4-[[2-(5-Chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 11524054
3-Pyridinecarboxamide, 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methyl-
CID 11855958
3-Pyridinecarboxamide, 6-chloro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]-
CID 25025509
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
2-Amino-6-benzyl-7-chloro-5-methyl-1,8-naphthyridine-3-carboxamide
CID 71451583
2-Amino-7-chloro-5-methyl-6-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 71453422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide (CID 3074385) is 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide is C=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CCC)CCC.
What is the InChIKey of 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZJXLUKUCHQLYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-9-20-17-14(18(24)23(11-5-2)12-6-3)15(19)13-8-7-10-21-16(13)22-17/h4,7-8,10H,1,5-6,9,11-12H2,2-3H3,(H,20,21,22).
What are the key properties of 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).