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

C27H35N5O2S — CID 162663399

IUPAC(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1ccsc1-c1cnc(N[C@@H]2CCN(C)C[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C27H35N5O2S/c1-16-10-12-35-24(16)20-14-28-25(23-19(20)13-17(2)26(33)31-23)30-22-9-11-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h10,12-14,18,21-22H,4-9,11,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyRTXPMELJELCJTP-FGZHOGPDSA-N
MW493.68 g/mol
LogP4.45
Rot. Bonds5

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

(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (PubChem CID 162663399) has the molecular formula C27H35N5O2S and a molecular weight of 493.68 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
PubChem CID162663399
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC Name(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1ccsc1-c1cnc(N[C@@H]2CCN(C)C[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C27H35N5O2S/c1-16-10-12-35-24(16)20-14-28-25(23-19(20)13-17(2)26(33)31-23)30-22-9-11-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h10,12-14,18,21-22H,4-9,11,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyRTXPMELJELCJTP-FGZHOGPDSA-N
XLogP4.45
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-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-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (CID 162663399) is (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-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-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is Cc1ccsc1-c1cnc(N[C@@H]2CCN(C)C[C@H]2C(=O)NC2CCCCC2)c2[nH]c(=O)c(C)cc12.
What is the InChIKey of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The InChIKey is RTXPMELJELCJTP-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-16-10-12-35-24(16)20-14-28-25(23-19(20)13-17(2)26(33)31-23)30-22-9-11-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h10,12-14,18,21-22H,4-9,11,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 4.45, 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-5-(3-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is sourced from PubChem (CID 162663399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).