N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C17H18FN3O2 — CID 166323550

IUPACN-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1)C1CC1
InChIInChI=1S/C17H18FN3O2/c18-12-4-3-11-7-15(20-14(11)8-12)17(23)21-6-5-13(9-21)19-16(22)10-1-2-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,22)
InChIKeyKMYZZQVFHZZNRW-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 166323550) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID166323550
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1)C1CC1
InChIInChI=1S/C17H18FN3O2/c18-12-4-3-11-7-15(20-14(11)8-12)17(23)21-6-5-13(9-21)19-16(22)10-1-2-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,22)
InChIKeyKMYZZQVFHZZNRW-UHFFFAOYSA-N
XLogP2.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(3R)-3-[(6-bromo-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590915
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843506
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
CID 124964173
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166241440
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
N-[(3R)-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperidin-3-yl]prop-2-enamide
CID 166424560
N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 139998658

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 166323550) is N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)C1)C1CC1.
What is the InChIKey of N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is KMYZZQVFHZZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-4-3-11-7-15(20-14(11)8-12)17(23)21-6-5-13(9-21)19-16(22)10-1-2-10/h3-4,7-8,10,13,20H,1-2,5-6,9H2,(H,19,22).
What are the key properties of N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166323550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).