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

C25H31N5O2S — CID 162663273

IUPAC(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2c(-c3ccsc3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C25H31N5O2S/c1-15-11-18-19(16-8-10-33-14-16)13-27-23(22(18)30-24(15)31)29-21-7-9-26-12-20(21)25(32)28-17-5-3-2-4-6-17/h8,10-11,13-14,17,20-21,26H,2-7,9,12H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t20-,21-/m1/s1
InChIKeyUNBSZVHADOJULV-NHCUHLMSSA-N
MW465.62 g/mol
LogP3.80
Rot. Bonds5

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

(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 162663273) 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-3-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-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID162663273
Molecular FormulaC25H31N5O2S
Molecular Weight465.62 g/mol
Exact Mass465.22
IUPAC Name(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2c(-c3ccsc3)cnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C25H31N5O2S/c1-15-11-18-19(16-8-10-33-14-16)13-27-23(22(18)30-24(15)31)29-21-7-9-26-12-20(21)25(32)28-17-5-3-2-4-6-17/h8,10-11,13-14,17,20-21,26H,2-7,9,12H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t20-,21-/m1/s1
InChIKeyUNBSZVHADOJULV-NHCUHLMSSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-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-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 162663273) is (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-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-3-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-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is Cc1cc2c(-c3ccsc3)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-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is UNBSZVHADOJULV-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-15-11-18-19(16-8-10-33-14-16)13-27-23(22(18)30-24(15)31)29-21-7-9-26-12-20(21)25(32)28-17-5-3-2-4-6-17/h8,10-11,13-14,17,20-21,26H,2-7,9,12H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-5-thiophen-3-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-3-yl-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 162663273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).