(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide

C19H23N5O — CID 165404695

IUPAC(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
SMILESCc1cc(NC(=O)[C@H](N)CC(C)C)cnc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5O/c1-11(2)8-16(20)19(25)24-13-9-12(3)17(23-10-13)14-4-6-21-18-15(14)5-7-22-18/h4-7,9-11,16H,8,20H2,1-3H3,(H,21,22)(H,24,25)/t16-/m1/s1
InChIKeyVORLRKHFHRAZDR-MRXNPFEDSA-N
MW337.43 g/mol
LogP3.25
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide

(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide (PubChem CID 165404695) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
PubChem CID165404695
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
SMILESCc1cc(NC(=O)[C@H](N)CC(C)C)cnc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C19H23N5O/c1-11(2)8-16(20)19(25)24-13-9-12(3)17(23-10-13)14-4-6-21-18-15(14)5-7-22-18/h4-7,9-11,16H,8,20H2,1-3H3,(H,21,22)(H,24,25)/t16-/m1/s1
InChIKeyVORLRKHFHRAZDR-MRXNPFEDSA-N
XLogP3.25
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide (CID 165404695) is (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide is Cc1cc(NC(=O)[C@H](N)CC(C)C)cnc1-c1ccnc2[nH]ccc12.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The InChIKey is VORLRKHFHRAZDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O/c1-11(2)8-16(20)19(25)24-13-9-12(3)17(23-10-13)14-4-6-21-18-15(14)5-7-22-18/h4-7,9-11,16H,8,20H2,1-3H3,(H,21,22)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
(2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide has a molecular weight of 337.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[5-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 165404695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).