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

C21H26N4O2 — CID 165404876

IUPAC(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)(C)C)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C21H26N4O2/c1-21(2,3)12-17(22)20(26)25-13-5-6-15(18(11-13)27-4)14-7-9-23-19-16(14)8-10-24-19/h5-11,17H,12,22H2,1-4H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyQCSNSHYGMZQGPU-QGZVFWFLSA-N
MW366.47 g/mol
LogP3.94
Rot. Bonds5

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

(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide (PubChem CID 165404876) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide
PubChem CID165404876
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide
SMILESCOc1cc(NC(=O)[C@H](N)CC(C)(C)C)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C21H26N4O2/c1-21(2,3)12-17(22)20(26)25-13-5-6-15(18(11-13)27-4)14-7-9-23-19-16(14)8-10-24-19/h5-11,17H,12,22H2,1-4H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyQCSNSHYGMZQGPU-QGZVFWFLSA-N
XLogP3.94
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide (CID 165404876) is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide is COc1cc(NC(=O)[C@H](N)CC(C)(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]-4,4-dimethylpentanamide?
The InChIKey is QCSNSHYGMZQGPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,3)12-17(22)20(26)25-13-5-6-15(18(11-13)27-4)14-7-9-23-19-16(14)8-10-24-19/h5-11,17H,12,22H2,1-4H3,(H,23,24)(H,25,26)/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]-4,4-dimethylpentanamide?
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide has a molecular weight of 366.47 g/mol, XLogP of 3.94, 5 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]-4,4-dimethylpentanamide is sourced from PubChem (CID 165404876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).