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

C26H33N5O2S — CID 162666764

IUPAC(3R,4R)-N-cyclohexyl-1-methyl-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]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H33N5O2S/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1
InChIKeyHYGLVNKELONMHM-NHCUHLMSSA-N
MW479.65 g/mol
LogP4.14
Rot. Bonds5

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

(3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 162666764) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-1-methyl-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-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID162666764
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name(3R,4R)-N-cyclohexyl-1-methyl-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]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H33N5O2S/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1
InChIKeyHYGLVNKELONMHM-NHCUHLMSSA-N
XLogP4.14
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-1-methyl-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-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 162666764) is (3R,4R)-N-cyclohexyl-1-methyl-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-1-methyl-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-1-methyl-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]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is HYGLVNKELONMHM-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-1-methyl-4-[(3-methyl-2-oxo-5-thiophen-2-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 162666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).