N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide

C20H29ClN4O — CID 3074388

IUPACN,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl
InChIInChI=1S/C20H29ClN4O/c1-5-7-12-25(13-8-6-2)20(26)16-17(21)15-10-9-11-22-18(15)24-19(16)23-14(3)4/h9-11,14H,5-8,12-13H2,1-4H3,(H,22,23,24)
InChIKeyRGYQLGUPMVQGKW-UHFFFAOYSA-N
MW376.93 g/mol
LogP5.15
Rot. Bonds9

About N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide

N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide (PubChem CID 3074388) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
PubChem CID3074388
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC NameN,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl
InChIInChI=1S/C20H29ClN4O/c1-5-7-12-25(13-8-6-2)20(26)16-17(21)15-10-9-11-22-18(15)24-19(16)23-14(3)4/h9-11,14H,5-8,12-13H2,1-4H3,(H,22,23,24)
InChIKeyRGYQLGUPMVQGKW-UHFFFAOYSA-N
XLogP5.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide (CID 3074388) is N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide is CCCCN(CCCC)C(=O)c1c(NC(C)C)nc2ncccc2c1Cl.
What is the InChIKey of N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is RGYQLGUPMVQGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-5-7-12-25(13-8-6-2)20(26)16-17(21)15-10-9-11-22-18(15)24-19(16)23-14(3)4/h9-11,14H,5-8,12-13H2,1-4H3,(H,22,23,24).
What are the key properties of N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide?
N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).