N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C14H17N3O2 — CID 115271278

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESNCC1(CNC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H17N3O2/c15-7-14(3-4-14)8-16-13(19)9-1-2-11-10(5-9)6-12(18)17-11/h1-2,5H,3-4,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyYIBDPHUIFUXEGQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.65
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 115271278) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID115271278
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESNCC1(CNC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H17N3O2/c15-7-14(3-4-14)8-16-13(19)9-1-2-11-10(5-9)6-12(18)17-11/h1-2,5H,3-4,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyYIBDPHUIFUXEGQ-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(4-hydroxyoxan-4-yl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103712064
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-[(4-carbamoylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797946
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 115271278) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide is NCC1(CNC(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is YIBDPHUIFUXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-14(3-4-14)8-16-13(19)9-1-2-11-10(5-9)6-12(18)17-11/h1-2,5H,3-4,6-8,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 115271278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).