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

C21H24N4O — CID 176840681

IUPAC(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
SMILESN[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H24N4O/c22-19(13-14-3-1-2-4-14)21(26)25-16-7-5-15(6-8-16)17-9-11-23-20-18(17)10-12-24-20/h5-12,14,19H,1-4,13,22H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyJTZKLCOBCRQFHJ-LJQANCHMSA-N
MW348.45 g/mol
LogP4.08
Rot. Bonds5

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

(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide (PubChem CID 176840681) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
PubChem CID176840681
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
SMILESN[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H24N4O/c22-19(13-14-3-1-2-4-14)21(26)25-16-7-5-15(6-8-16)17-9-11-23-20-18(17)10-12-24-20/h5-12,14,19H,1-4,13,22H2,(H,23,24)(H,25,26)/t19-/m1/s1
InChIKeyJTZKLCOBCRQFHJ-LJQANCHMSA-N
XLogP4.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide (CID 176840681) is (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide is N[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
The InChIKey is JTZKLCOBCRQFHJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O/c22-19(13-14-3-1-2-4-14)21(26)25-16-7-5-15(6-8-16)17-9-11-23-20-18(17)10-12-24-20/h5-12,14,19H,1-4,13,22H2,(H,23,24)(H,25,26)/t19-/m1/s1.
What are the key properties of (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide?
(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide is sourced from PubChem (CID 176840681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).