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

C22H28N4O2 — CID 165404643

IUPAC(2R)-2-amino-N-[3-methoxy-4-(2-methyl-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]c(C)cc12
InChIInChI=1S/C22H28N4O2/c1-13-10-17-15(8-9-24-20(17)25-13)16-7-6-14(11-19(16)28-5)26-21(27)18(23)12-22(2,3)4/h6-11,18H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t18-/m1/s1
InChIKeyJSUOMEZUGNLWPI-GOSISDBHSA-N
MW380.49 g/mol
LogP4.25
Rot. Bonds5

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

(2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide (PubChem CID 165404643) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide
PubChem CID165404643
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(2-methyl-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]c(C)cc12
InChIInChI=1S/C22H28N4O2/c1-13-10-17-15(8-9-24-20(17)25-13)16-7-6-14(11-19(16)28-5)26-21(27)18(23)12-22(2,3)4/h6-11,18H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t18-/m1/s1
InChIKeyJSUOMEZUGNLWPI-GOSISDBHSA-N
XLogP4.25
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.25
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-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide (CID 165404643) is (2R)-2-amino-N-[3-methoxy-4-(2-methyl-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-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(2-methyl-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]c(C)cc12.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide?
The InChIKey is JSUOMEZUGNLWPI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-13-10-17-15(8-9-24-20(17)25-13)16-7-6-14(11-19(16)28-5)26-21(27)18(23)12-22(2,3)4/h6-11,18H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide?
(2R)-2-amino-N-[3-methoxy-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide has a molecular weight of 380.49 g/mol, XLogP of 4.25, 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-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 165404643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).