1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide

C24H24N4O — CID 74226399

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide
SMILESO=C(C1CN1C1Cc2ccccc2C1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C24H24N4O/c29-24(23-17-28(23)22-11-20-7-1-2-8-21(20)12-22)27(15-18-5-3-9-25-13-18)16-19-6-4-10-26-14-19/h1-10,13-14,22-23H,11-12,15-17H2
InChIKeyLVZFWPFUSAURHH-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide

1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide (PubChem CID 74226399) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide
PubChem CID74226399
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide
SMILESO=C(C1CN1C1Cc2ccccc2C1)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C24H24N4O/c29-24(23-17-28(23)22-11-20-7-1-2-8-21(20)12-22)27(15-18-5-3-9-25-13-18)16-19-6-4-10-26-14-19/h1-10,13-14,22-23H,11-12,15-17H2
InChIKeyLVZFWPFUSAURHH-UHFFFAOYSA-N
XLogP2.86
TPSA49.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 42794188
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
CID 95707541
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163589
(2S)-N-ethyl-N-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95629690
N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42789358
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4583123

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide (CID 74226399) is 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide is O=C(C1CN1C1Cc2ccccc2C1)N(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide?
The InChIKey is LVZFWPFUSAURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(23-17-28(23)22-11-20-7-1-2-8-21(20)12-22)27(15-18-5-3-9-25-13-18)16-19-6-4-10-26-14-19/h1-10,13-14,22-23H,11-12,15-17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide?
1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide is sourced from PubChem (CID 74226399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).