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

C19H25ClN4O — CID 3079847

IUPAC4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl
InChIInChI=1S/C19H25ClN4O/c1-3-24(4-2)19(25)15-16(20)14-11-8-12-21-17(14)23-18(15)22-13-9-6-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,21,22,23)
InChIKeyHMXOTLJNURDCRL-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.51
Rot. Bonds5

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

4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide (PubChem CID 3079847) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide
PubChem CID3079847
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl
InChIInChI=1S/C19H25ClN4O/c1-3-24(4-2)19(25)15-16(20)14-11-8-12-21-17(14)23-18(15)22-13-9-6-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,21,22,23)
InChIKeyHMXOTLJNURDCRL-UHFFFAOYSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide (CID 3079847) is 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide is CCN(CC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is HMXOTLJNURDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-24(4-2)19(25)15-16(20)14-11-8-12-21-17(14)23-18(15)22-13-9-6-5-7-10-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide?
4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylamino)-N,N-diethyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).