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

C20H27ClN4O — CID 3074390

IUPACN,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(NC2CC2)nc2ncccc2c1Cl
InChIInChI=1S/C20H27ClN4O/c1-3-5-12-25(13-6-4-2)20(26)16-17(21)15-8-7-11-22-18(15)24-19(16)23-14-9-10-14/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyPBIDUUPALMPRFX-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.90
Rot. Bonds9

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

N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide (PubChem CID 3074390) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide
PubChem CID3074390
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1c(NC2CC2)nc2ncccc2c1Cl
InChIInChI=1S/C20H27ClN4O/c1-3-5-12-25(13-6-4-2)20(26)16-17(21)15-8-7-11-22-18(15)24-19(16)23-14-9-10-14/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,22,23,24)
InChIKeyPBIDUUPALMPRFX-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.90
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-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide (CID 3074390) is N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide is CCCCN(CCCC)C(=O)c1c(NC2CC2)nc2ncccc2c1Cl.
What is the InChIKey of N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide?
The InChIKey is PBIDUUPALMPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-3-5-12-25(13-6-4-2)20(26)16-17(21)15-8-7-11-22-18(15)24-19(16)23-14-9-10-14/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide?
N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide has a molecular weight of 374.92 g/mol, XLogP of 4.90, 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-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 3074390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).