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

C16H19ClN4O — CID 3074381

IUPAC4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC
InChIInChI=1S/C16H19ClN4O/c1-4-9-18-15-12(16(22)21(5-2)6-3)13(17)11-8-7-10-19-14(11)20-15/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,18,19,20)
InChIKeyDXDFSMGOZQUSMT-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.36
Rot. Bonds6

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

4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide (PubChem CID 3074381) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
PubChem CID3074381
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
SMILESC=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC
InChIInChI=1S/C16H19ClN4O/c1-4-9-18-15-12(16(22)21(5-2)6-3)13(17)11-8-7-10-19-14(11)20-15/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,18,19,20)
InChIKeyDXDFSMGOZQUSMT-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide (CID 3074381) is 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide is C=CCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC.
What is the InChIKey of 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is DXDFSMGOZQUSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-4-9-18-15-12(16(22)21(5-2)6-3)13(17)11-8-7-10-19-14(11)20-15/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,18,19,20).
What are the key properties of 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide?
4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).