4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

C21H24N4O2 — CID 19601454

IUPAC4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-25-11-9-14(10-12-25)17-13-22-18-7-8-19(23-20(17)18)24-21(26)15-3-5-16(27-2)6-4-15/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyWLNPZJZFXOHFPO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds4

About 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide

4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 19601454) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
PubChem CID19601454
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-25-11-9-14(10-12-25)17-13-22-18-7-8-19(23-20(17)18)24-21(26)15-3-5-16(27-2)6-4-15/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24,26)
InChIKeyWLNPZJZFXOHFPO-UHFFFAOYSA-N
XLogP3.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 11035452
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
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
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
CID 19601566
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
CID 11760896
cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
CID 19601574
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide (CID 19601454) is 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is WLNPZJZFXOHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25-11-9-14(10-12-25)17-13-22-18-7-8-19(23-20(17)18)24-21(26)15-3-5-16(27-2)6-4-15/h3-8,13-14,22H,9-12H2,1-2H3,(H,23,24,26).
What are the key properties of 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide?
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 19601454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).