5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide

C18H23N5O2 — CID 154844070

IUPAC5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)N3CCC(N4CCCC4)C3)ccc2[nH]1
InChIInChI=1S/C18H23N5O2/c19-17(24)16-10-12-9-13(3-4-15(12)21-16)20-18(25)23-8-5-14(11-23)22-6-1-2-7-22/h3-4,9-10,14,21H,1-2,5-8,11H2,(H2,19,24)(H,20,25)
InChIKeyAFCBBXTYSJJHRO-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.97
Rot. Bonds3

About 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide

5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide (PubChem CID 154844070) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide
PubChem CID154844070
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)N3CCC(N4CCCC4)C3)ccc2[nH]1
InChIInChI=1S/C18H23N5O2/c19-17(24)16-10-12-9-13(3-4-15(12)21-16)20-18(25)23-8-5-14(11-23)22-6-1-2-7-22/h3-4,9-10,14,21H,1-2,5-8,11H2,(H2,19,24)(H,20,25)
InChIKeyAFCBBXTYSJJHRO-UHFFFAOYSA-N
XLogP1.97
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
ethyl 5-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 95302377
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 136513000

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide (CID 154844070) is 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide is NC(=O)c1cc2cc(NC(=O)N3CCC(N4CCCC4)C3)ccc2[nH]1.
What is the InChIKey of 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide?
The InChIKey is AFCBBXTYSJJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-17(24)16-10-12-9-13(3-4-15(12)21-16)20-18(25)23-8-5-14(11-23)22-6-1-2-7-22/h3-4,9-10,14,21H,1-2,5-8,11H2,(H2,19,24)(H,20,25).
What are the key properties of 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide?
5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 154844070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).