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

C17H23ClN4O — CID 3074382

IUPAC2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide
SMILESCCCCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC
InChIInChI=1S/C17H23ClN4O/c1-4-7-10-20-16-13(17(23)22(5-2)6-3)14(18)12-9-8-11-19-15(12)21-16/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKeyFRNCITLUHKAKRA-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.98
Rot. Bonds7

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

2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide (PubChem CID 3074382) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide
PubChem CID3074382
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide
SMILESCCCCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC
InChIInChI=1S/C17H23ClN4O/c1-4-7-10-20-16-13(17(23)22(5-2)6-3)14(18)12-9-8-11-19-15(12)21-16/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKeyFRNCITLUHKAKRA-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide (CID 3074382) is 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide is CCCCNc1nc2ncccc2c(Cl)c1C(=O)N(CC)CC.
What is the InChIKey of 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is FRNCITLUHKAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-7-10-20-16-13(17(23)22(5-2)6-3)14(18)12-9-8-11-19-15(12)21-16/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).