N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

C23H26N4O — CID 69012171

IUPACN-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ncccc12)NC(Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C23H26N4O/c28-22(11-10-19-16-25-23-21(19)9-6-12-24-23)26-20(17-27-13-4-5-14-27)15-18-7-2-1-3-8-18/h1-3,6-12,16,20H,4-5,13-15,17H2,(H,24,25)(H,26,28)
InChIKeyJASHHXREHGZBLS-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.40
Rot. Bonds7

About N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (PubChem CID 69012171) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
PubChem CID69012171
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ncccc12)NC(Cc1ccccc1)CN1CCCC1
InChIInChI=1S/C23H26N4O/c28-22(11-10-19-16-25-23-21(19)9-6-12-24-23)26-20(17-27-13-4-5-14-27)15-18-7-2-1-3-8-18/h1-3,6-12,16,20H,4-5,13-15,17H2,(H,24,25)(H,26,28)
InChIKeyJASHHXREHGZBLS-UHFFFAOYSA-N
XLogP3.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

VX 509
CID 59422203
Y-39983
CID 11507964
PF-Akt400
CID 25061501
Stk16-IN-1
CID 58525066
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
CID 46838190
N-((1R,3S)-3-(5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyrimidin-4-ylamino)cyclohexyl)pyrrolidine-1-carboxamide
CID 49818717
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 54063522
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516
N-[3-(7H-Pyrrolo[2,3-D]pyrimidin-4-YL)phenyl]-2-propenamide
CID 132277003

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CID 69012171) is N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is O=C(C=Cc1c[nH]c2ncccc12)NC(Cc1ccccc1)CN1CCCC1.
What is the InChIKey of N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is JASHHXREHGZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-22(11-10-19-16-25-23-21(19)9-6-12-24-23)26-20(17-27-13-4-5-14-27)15-18-7-2-1-3-8-18/h1-3,6-12,16,20H,4-5,13-15,17H2,(H,24,25)(H,26,28).
What are the key properties of N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 374.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 69012171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).