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

C21H29ClN4O — CID 3074386

IUPAC4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl
InChIInChI=1S/C21H29ClN4O/c1-3-13-26(14-4-2)21(27)17-18(22)16-11-8-12-23-19(16)25-20(17)24-15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10,13-14H2,1-2H3,(H,23,24,25)
InChIKeyKRGCHUHRUYDJDD-UHFFFAOYSA-N
MW388.94 g/mol
LogP5.29
Rot. Bonds7

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

4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide (PubChem CID 3074386) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
PubChem CID3074386
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl
InChIInChI=1S/C21H29ClN4O/c1-3-13-26(14-4-2)21(27)17-18(22)16-11-8-12-23-19(16)25-20(17)24-15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10,13-14H2,1-2H3,(H,23,24,25)
InChIKeyKRGCHUHRUYDJDD-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 55.29
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-dipropyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide (CID 3074386) is 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide is CCCN(CCC)C(=O)c1c(NC2CCCCC2)nc2ncccc2c1Cl.
What is the InChIKey of 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is KRGCHUHRUYDJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-3-13-26(14-4-2)21(27)17-18(22)16-11-8-12-23-19(16)25-20(17)24-15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10,13-14H2,1-2H3,(H,23,24,25).
What are the key properties of 4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide?
4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 388.94 g/mol, XLogP of 5.29, 7 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-dipropyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).