1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

C24H37N7O2 — CID 90144305

IUPAC1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(C2=CC3NC(NC(=O)NC4CCCC4)=CC=C3N=C2)CC1
InChIInChI=1S/C24H37N7O2/c1-30(2)14-11-25-23(32)17-9-12-31(13-10-17)19-15-21-20(26-16-19)7-8-22(28-21)29-24(33)27-18-5-3-4-6-18/h7-8,15-18,21,28H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,29,33)
InChIKeyQASTZHYEOOCLCF-UHFFFAOYSA-N
MW455.61 g/mol
LogP1.28
Rot. Bonds7

About 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide

1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 90144305) has the molecular formula C24H37N7O2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID90144305
Molecular FormulaC24H37N7O2
Molecular Weight455.61 g/mol
Exact Mass455.30
IUPAC Name1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(C2=CC3NC(NC(=O)NC4CCCC4)=CC=C3N=C2)CC1
InChIInChI=1S/C24H37N7O2/c1-30(2)14-11-25-23(32)17-9-12-31(13-10-17)19-15-21-20(26-16-19)7-8-22(28-21)29-24(33)27-18-5-3-4-6-18/h7-8,15-18,21,28H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,29,33)
InChIKeyQASTZHYEOOCLCF-UHFFFAOYSA-N
XLogP1.28
TPSA101.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminocyclohexa-2,4-dien-1-yl)-3-[[2-cyclohexa-2,4-dien-1-ylethylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]-2,3-dihydropyridine-6-carboxamide
CID 145488718
6-acetyl-8-cyclopent-2-en-1-yl-2,5-dimethyl-2-[(2-methyl-3-piperazin-1-yl-1,2-dihydropyridin-6-yl)amino]-5,6-dihydro-1H-pyrido[2,3-d]pyrimidin-7-one
CID 163831972
6-[1-(1-acetylpiperidine-4-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114838

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 90144305) is 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(C2=CC3NC(NC(=O)NC4CCCC4)=CC=C3N=C2)CC1.
What is the InChIKey of 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is QASTZHYEOOCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O2/c1-30(2)14-11-25-23(32)17-9-12-31(13-10-17)19-15-21-20(26-16-19)7-8-22(28-21)29-24(33)27-18-5-3-4-6-18/h7-8,15-18,21,28H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,29,33).
What are the key properties of 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 1.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylcarbamoylamino)-4a,5-dihydro-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90144305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).