(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide

C26H35N5O2 — CID 162645194

IUPAC(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1cc2c(C3=CCCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H35N5O2/c1-16-13-19-20(17-7-5-6-8-17)15-28-24(23(19)31-25(16)32)30-22-11-12-27-14-21(22)26(33)29-18-9-3-2-4-10-18/h7,13,15,18,21-22,27H,2-6,8-12,14H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t21-,22-/m1/s1
InChIKeyZTWGJFORKMMLOL-FGZHOGPDSA-N
MW449.60 g/mol
LogP3.64
Rot. Bonds5

About (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide

(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (PubChem CID 162645194) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
PubChem CID162645194
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1cc2c(C3=CCCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H35N5O2/c1-16-13-19-20(17-7-5-6-8-17)15-28-24(23(19)31-25(16)32)30-22-11-12-27-14-21(22)26(33)29-18-9-3-2-4-10-18/h7,13,15,18,21-22,27H,2-6,8-12,14H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t21-,22-/m1/s1
InChIKeyZTWGJFORKMMLOL-FGZHOGPDSA-N
XLogP3.64
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
CID 134817552
(3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
CID 146681131
2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10621397
2-[3-[4-(2-benzylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10766280
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N-benzyl-2-methylpiperazine-1-carboxamide
CID 16662813
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-((S)-1-phenylethyl)piperazine-1-carboxamide
CID 16662873
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-((R)-1-phenylethyl)piperazine-1-carboxamide
CID 16662874
6-amino-3-(4-tert-butylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 118586320
6-amino-3-(4-ethylcyclohexyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 118586321

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (CID 162645194) is (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is Cc1cc2c(C3=CCCC3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The InChIKey is ZTWGJFORKMMLOL-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-16-13-19-20(17-7-5-6-8-17)15-28-24(23(19)31-25(16)32)30-22-11-12-27-14-21(22)26(33)29-18-9-3-2-4-10-18/h7,13,15,18,21-22,27H,2-6,8-12,14H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is sourced from PubChem (CID 162645194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).