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

C21H29N5O2 — CID 162648409

IUPAC(3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CCCC3)c2[nH]c1=O
InChIInChI=1S/C21H29N5O2/c1-13-10-15-6-9-23-19(18(15)26-20(13)27)25-17-7-8-22-12-16(17)21(28)24-11-14-4-2-3-5-14/h6,9-10,14,16-17,22H,2-5,7-8,11-12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
InChIKeyHBAPJJUPCAYXNL-IAGOWNOFSA-N
MW383.50 g/mol
LogP1.93
Rot. Bonds5

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

(3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 162648409) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID162648409
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NCC3CCCC3)c2[nH]c1=O
InChIInChI=1S/C21H29N5O2/c1-13-10-15-6-9-23-19(18(15)26-20(13)27)25-17-7-8-22-12-16(17)21(28)24-11-14-4-2-3-5-14/h6,9-10,14,16-17,22H,2-5,7-8,11-12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
InChIKeyHBAPJJUPCAYXNL-IAGOWNOFSA-N
XLogP1.93
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-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-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 162648409) is (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-(cyclopentylmethyl)-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)NCC3CCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is HBAPJJUPCAYXNL-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13-10-15-6-9-23-19(18(15)26-20(13)27)25-17-7-8-22-12-16(17)21(28)24-11-14-4-2-3-5-14/h6,9-10,14,16-17,22H,2-5,7-8,11-12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(cyclopentylmethyl)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 162648409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).