4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C21H25N5O2 — CID 155757104

IUPAC4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C21H25N5O2/c1-22-21(27)18-11-24-20-17(6-8-23-20)19(18)25-15-7-9-26(13-15)12-14-4-3-5-16(10-14)28-2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3,(H,22,27)(H2,23,24,25)
InChIKeyJNEYECYIYWPPAG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds6

About 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155757104) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155757104
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C21H25N5O2/c1-22-21(27)18-11-24-20-17(6-8-23-20)19(18)25-15-7-9-26(13-15)12-14-4-3-5-16(10-14)28-2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3,(H,22,27)(H2,23,24,25)
InChIKeyJNEYECYIYWPPAG-UHFFFAOYSA-N
XLogP2.62
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25211676
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CID 25218580
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CID 25218581
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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155757104) is 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is JNEYECYIYWPPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-22-21(27)18-11-24-20-17(6-8-23-20)19(18)25-15-7-9-26(13-15)12-14-4-3-5-16(10-14)28-2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3,(H,22,27)(H2,23,24,25).
What are the key properties of 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155757104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).