(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide

C22H27N5O — CID 66662880

IUPAC(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](N(C)c3ccnc4[nH]ccc34)C2)cc1
InChIInChI=1S/C22H27N5O/c1-15-4-6-17(7-5-15)25-22(28)27-13-10-16(2)20(14-27)26(3)19-9-12-24-21-18(19)8-11-23-21/h4-9,11-12,16,20H,10,13-14H2,1-3H3,(H,23,24)(H,25,28)/t16-,20+/m1/s1
InChIKeyYFLBCJLVUIYCLX-UZLBHIALSA-N
MW377.49 g/mol
LogP4.25
Rot. Bonds3

About (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide

(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide (PubChem CID 66662880) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
PubChem CID66662880
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](N(C)c3ccnc4[nH]ccc34)C2)cc1
InChIInChI=1S/C22H27N5O/c1-15-4-6-17(7-5-15)25-22(28)27-13-10-16(2)20(14-27)26(3)19-9-12-24-21-18(19)8-11-23-21/h4-9,11-12,16,20H,10,13-14H2,1-3H3,(H,23,24)(H,25,28)/t16-,20+/m1/s1
InChIKeyYFLBCJLVUIYCLX-UZLBHIALSA-N
XLogP4.25
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide (CID 66662880) is (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](N(C)c3ccnc4[nH]ccc34)C2)cc1.
What is the InChIKey of (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide?
The InChIKey is YFLBCJLVUIYCLX-UZLBHIALSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-4-6-17(7-5-15)25-22(28)27-13-10-16(2)20(14-27)26(3)19-9-12-24-21-18(19)8-11-23-21/h4-9,11-12,16,20H,10,13-14H2,1-3H3,(H,23,24)(H,25,28)/t16-,20+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide?
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 66662880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).