(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide

C21H30N4O — CID 19601566

IUPAC(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
SMILESCC/C=C/CC(=O)Nc1ccc2[nH]cc(C3CCN(CCC)CC3)c2n1
InChIInChI=1S/C21H30N4O/c1-3-5-6-7-20(26)23-19-9-8-18-21(24-19)17(15-22-18)16-10-13-25(12-4-2)14-11-16/h5-6,8-9,15-16,22H,3-4,7,10-14H2,1-2H3,(H,23,24,26)/b6-5+
InChIKeyWVPIMEHNNYZBBE-AATRIKPKSA-N
MW354.50 g/mol
LogP4.45
Rot. Bonds7

About (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide

(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide (PubChem CID 19601566) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
PubChem CID19601566
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
SMILESCC/C=C/CC(=O)Nc1ccc2[nH]cc(C3CCN(CCC)CC3)c2n1
InChIInChI=1S/C21H30N4O/c1-3-5-6-7-20(26)23-19-9-8-18-21(24-19)17(15-22-18)16-10-13-25(12-4-2)14-11-16/h5-6,8-9,15-16,22H,3-4,7,10-14H2,1-2H3,(H,23,24,26)/b6-5+
InChIKeyWVPIMEHNNYZBBE-AATRIKPKSA-N
XLogP4.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide with MolForge

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Related Compounds

4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
CID 10925076
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225
1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 11808793
4-methoxybenzoic acid;1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 19601513
1-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-prop-2-enylurea
CID 19601509
2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 11035452
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
N-[3-[1-[2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]ethyl]piperidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
CID 44534310
cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
CID 19601574
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
CID 11760896

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide?
The IUPAC name of (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide (CID 19601566) is (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide.
What is the SMILES notation for (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide?
The canonical SMILES for (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide is CC/C=C/CC(=O)Nc1ccc2[nH]cc(C3CCN(CCC)CC3)c2n1.
What is the InChIKey of (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide?
The InChIKey is WVPIMEHNNYZBBE-AATRIKPKSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-5-6-7-20(26)23-19-9-8-18-21(24-19)17(15-22-18)16-10-13-25(12-4-2)14-11-16/h5-6,8-9,15-16,22H,3-4,7,10-14H2,1-2H3,(H,23,24,26)/b6-5+.
What are the key properties of (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide?
(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide has a molecular weight of 354.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide is sourced from PubChem (CID 19601566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).