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

C21H29N5O2 — CID 146681131

IUPAC(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
InChIKeyIKBQHNYWAGFECR-IAGOWNOFSA-N
MW383.50 g/mol
LogP2.07
Rot. Bonds4

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

(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (PubChem CID 146681131) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
PubChem CID146681131
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide
SMILESCc1cc2ccnc(N[C@@H]3CCNC[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1
InChIKeyIKBQHNYWAGFECR-IAGOWNOFSA-N
XLogP2.07
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nevirapine
CID 4463
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Palbociclib
CID 5330286
Pirenzepine
CID 4848
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Unii-O3pen5V8WL
CID 453331
AQ-RA 741
CID 129989
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide (CID 146681131) is (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-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-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclohexyl-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)NC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
The InChIKey is IKBQHNYWAGFECR-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13-11-14-7-10-23-19(18(14)26-20(13)27)25-17-8-9-22-12-16(17)21(28)24-15-5-3-2-4-6-15/h7,10-11,15-17,22H,2-6,8-9,12H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-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 2.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 146681131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).