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

C25H31N5O2S — CID 162654548

IUPAC(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2c(-c3cccs3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C25H31N5O2S/c1-15-12-17-18(21-8-5-11-33-21)14-27-23(22(17)30-24(15)31)29-20-9-10-26-13-19(20)25(32)28-16-6-3-2-4-7-16/h5,8,11-12,14,16,19-20,26H,2-4,6-7,9-10,13H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t19-,20-/m1/s1
InChIKeyVEOXKUPFVGUXAN-WOJBJXKFSA-N
MW465.62 g/mol
LogP3.80
Rot. Bonds5

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

(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 162654548) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID162654548
Molecular FormulaC25H31N5O2S
Molecular Weight465.62 g/mol
Exact Mass465.22
IUPAC Name(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2c(-c3cccs3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C25H31N5O2S/c1-15-12-17-18(21-8-5-11-33-21)14-27-23(22(17)30-24(15)31)29-20-9-10-26-13-19(20)25(32)28-16-6-3-2-4-7-16/h5,8,11-12,14,16,19-20,26H,2-4,6-7,9-10,13H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t19-,20-/m1/s1
InChIKeyVEOXKUPFVGUXAN-WOJBJXKFSA-N
XLogP3.80
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Chk1-IN-2
CID 11951901
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719603
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719606
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744793
8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 24744797
6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24745269
N-(2-amino-5-(thiophen-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746436
6-(2-Acetyl-2,7-diazaspiro[4.5]dec-7-yl)-N-[2-amino-5-(2-thienyl)phenyl]-nicotinamide
CID 24746437
4-[[(2S,3S)-2-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 69012259

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 162654548) is (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is Cc1cc2c(-c3cccs3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is VEOXKUPFVGUXAN-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-15-12-17-18(21-8-5-11-33-21)14-27-23(22(17)30-24(15)31)29-20-9-10-26-13-19(20)25(32)28-16-6-3-2-4-7-16/h5,8,11-12,14,16,19-20,26H,2-4,6-7,9-10,13H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 162654548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).