(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

C19H21N5O — CID 138491257

IUPAC(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cc2c(-c3ccncc3)ccnc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C19H21N5O/c25-19(17-2-1-7-21-17)23-10-5-14-12-16-15(6-11-22-18(16)24-14)13-3-8-20-9-4-13/h3-4,6,8-9,11-12,17,21H,1-2,5,7,10H2,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyBXOKOMSBDLPWMM-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.04
Rot. Bonds5

About (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 138491257) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID138491257
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cc2c(-c3ccncc3)ccnc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C19H21N5O/c25-19(17-2-1-7-21-17)23-10-5-14-12-16-15(6-11-22-18(16)24-14)13-3-8-20-9-4-13/h3-4,6,8-9,11-12,17,21H,1-2,5,7,10H2,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyBXOKOMSBDLPWMM-KRWDZBQOSA-N
XLogP2.04
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 138491257) is (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cc2c(-c3ccncc3)ccnc2[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BXOKOMSBDLPWMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(17-2-1-7-21-17)23-10-5-14-12-16-15(6-11-22-18(16)24-14)13-3-8-20-9-4-13/h3-4,6,8-9,11-12,17,21H,1-2,5,7,10H2,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138491257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).