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

C24H35N7O2 — CID 90166377

IUPAC1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1
InChIInChI=1S/C24H35N7O2/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/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,28,29,33)
InChIKeyWOZFJAIMRVZKKW-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.59
Rot. Bonds7

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

1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 90166377) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
PubChem CID90166377
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC Name1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1
InChIInChI=1S/C24H35N7O2/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/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,28,29,33)
InChIKeyWOZFJAIMRVZKKW-UHFFFAOYSA-N
XLogP2.59
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[1-amino-3-[3-(dimethylamino)-2,2-dimethylpropyl]iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 144521311
1-cyclopentyl-3-[7-[1-(3-hydroxypropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 71249446
1-[7-[1-amino-3-[2-[bis(2-methoxyethyl)amino]ethylimino]prop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 163526328
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335
1-[7-[2-(azetidin-3-ylmethyl)-3,4-dihydropyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249459
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-cyclopentyl-3-[7-[4-hydroxy-3-(2-methoxyethoxy)phenyl]-1,5-naphthyridin-2-yl]urea
CID 136628684
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845870

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide (CID 90166377) is 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(c2cnc3ccc(NC(=O)NC4CCCC4)nc3c2)CC1.
What is the InChIKey of 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is WOZFJAIMRVZKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2/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/h7-8,15-18H,3-6,9-14H2,1-2H3,(H,25,32)(H2,27,28,29,33).
What are the key properties of 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide?
1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylcarbamoylamino)-1,5-naphthyridin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90166377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).