(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide

C20H24N4O2 — CID 165404602

IUPAC(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C20H24N4O2/c1-12(2)10-17(21)20(25)24-13-4-5-15(18(11-13)26-3)14-6-8-22-19-16(14)7-9-23-19/h4-9,11-12,17H,10,21H2,1-3H3,(H,22,23)(H,24,25)/t17-/m1/s1
InChIKeyJENLLCYZFDMMTR-QGZVFWFLSA-N
MW352.44 g/mol
LogP3.55
Rot. Bonds6

About (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide

(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide (PubChem CID 165404602) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
PubChem CID165404602
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C20H24N4O2/c1-12(2)10-17(21)20(25)24-13-4-5-15(18(11-13)26-3)14-6-8-22-19-16(14)7-9-23-19/h4-9,11-12,17H,10,21H2,1-3H3,(H,22,23)(H,24,25)/t17-/m1/s1
InChIKeyJENLLCYZFDMMTR-QGZVFWFLSA-N
XLogP3.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide 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

2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 75400684
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
(2R)-2-amino-N-[4-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-4-methylpentanamide
CID 165404802
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
(2R)-2-(cyclopropylamino)-4-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CID 165404742
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide (CID 165404602) is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide is COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide?
The InChIKey is JENLLCYZFDMMTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)10-17(21)20(25)24-13-4-5-15(18(11-13)26-3)14-6-8-22-19-16(14)7-9-23-19/h4-9,11-12,17H,10,21H2,1-3H3,(H,22,23)(H,24,25)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide has a molecular weight of 352.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 165404602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).