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

C18H21N5O — CID 165404769

IUPAC(2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C18H21N5O/c1-11(2)9-15(19)18(24)23-12-3-4-16(22-10-12)13-5-7-20-17-14(13)6-8-21-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)(H,23,24)/t15-/m1/s1
InChIKeyDKGDWKUNRUZTAF-OAHLLOKOSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds5

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

(2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide (PubChem CID 165404769) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
PubChem CID165404769
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1
InChIInChI=1S/C18H21N5O/c1-11(2)9-15(19)18(24)23-12-3-4-16(22-10-12)13-5-7-20-17-14(13)6-8-21-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)(H,23,24)/t15-/m1/s1
InChIKeyDKGDWKUNRUZTAF-OAHLLOKOSA-N
XLogP2.94
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide (CID 165404769) is (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)nc1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
The InChIKey is DKGDWKUNRUZTAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11(2)9-15(19)18(24)23-12-3-4-16(22-10-12)13-5-7-20-17-14(13)6-8-21-17/h3-8,10-11,15H,9,19H2,1-2H3,(H,20,21)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide?
(2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 165404769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).