8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide

C18H22N6O2 — CID 58495753

IUPAC8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCN(C(=O)N4CCCC4)CC3)c2n1
InChIInChI=1S/C18H22N6O2/c19-17(25)14-4-3-13-11-20-12-15(16(13)21-14)22-7-9-24(10-8-22)18(26)23-5-1-2-6-23/h3-4,11-12H,1-2,5-10H2,(H2,19,25)
InChIKeyAJKKKCIRWULSAN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.07
Rot. Bonds2

About 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide

8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 58495753) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID58495753
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCN(C(=O)N4CCCC4)CC3)c2n1
InChIInChI=1S/C18H22N6O2/c19-17(25)14-4-3-13-11-20-12-15(16(13)21-14)22-7-9-24(10-8-22)18(26)23-5-1-2-6-23/h3-4,11-12H,1-2,5-10H2,(H2,19,25)
InChIKeyAJKKKCIRWULSAN-UHFFFAOYSA-N
XLogP1.07
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(4-fluorophenyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
CID 58495788
8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide
CID 58495812
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
8-(4-hydroxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 46941070
[4-(1,6-naphthyridin-8-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 91953490
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 90178332
1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
CID 70440018
8-(2,4-dichlorophenyl)-1,6-naphthyridine-2-carboxamide
CID 75203010
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
CID 155269546
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
4-[4-(4-acetylphenyl)piperazin-1-yl]isoquinoline-6-carboxamide
CID 58495716

Frequently Asked Questions

What is the IUPAC name of 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide (CID 58495753) is 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(N3CCN(C(=O)N4CCCC4)CC3)c2n1.
What is the InChIKey of 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is AJKKKCIRWULSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-17(25)14-4-3-13-11-20-12-15(16(13)21-14)22-7-9-24(10-8-22)18(26)23-5-1-2-6-23/h3-4,11-12H,1-2,5-10H2,(H2,19,25).
What are the key properties of 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide?
8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 58495753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).