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

C20H27N5O2 — CID 162657412

IUPAC(3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCC3)c2[nH]c1=O
InChIInChI=1S/C20H27N5O2/c1-12-10-13-6-9-22-18(17(13)25-19(12)26)24-16-7-8-21-11-15(16)20(27)23-14-4-2-3-5-14/h6,9-10,14-16,21H,2-5,7-8,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyKAJVIXPYLAGRLE-HZPDHXFCSA-N
MW369.47 g/mol
LogP1.68
Rot. Bonds4

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

(3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 162657412) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID162657412
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCC3)c2[nH]c1=O
InChIInChI=1S/C20H27N5O2/c1-12-10-13-6-9-22-18(17(13)25-19(12)26)24-16-7-8-21-11-15(16)20(27)23-14-4-2-3-5-14/h6,9-10,14-16,21H,2-5,7-8,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1
InChIKeyKAJVIXPYLAGRLE-HZPDHXFCSA-N
XLogP1.68
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 162657412) is (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is KAJVIXPYLAGRLE-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12-10-13-6-9-22-18(17(13)25-19(12)26)24-16-7-8-21-11-15(16)20(27)23-14-4-2-3-5-14/h6,9-10,14-16,21H,2-5,7-8,11H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclopentyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 162657412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).