N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

C14H14N4O2 — CID 102712447

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N4O2/c1-18(8-12-15-4-5-16-12)14(20)10-3-2-9-7-13(19)17-11(9)6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKeyDHFLAFSDBUQNIQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.18
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712447) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712447
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N4O2/c1-18(8-12-15-4-5-16-12)14(20)10-3-2-9-7-13(19)17-11(9)6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,17,19)
InChIKeyDHFLAFSDBUQNIQ-UHFFFAOYSA-N
XLogP1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082
N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712770
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-methyl-2-oxo-N-pyridin-4-yl-1,3-dihydroindole-6-carboxamide
CID 106936749
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712580
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712447) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is DHFLAFSDBUQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18(8-12-15-4-5-16-12)14(20)10-3-2-9-7-13(19)17-11(9)6-10/h2-6H,7-8H2,1H3,(H,15,16)(H,17,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).