N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide

C21H26N4O — CID 160722810

IUPACN-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nccnc1CNC1Cc2ccccc2C1
InChIInChI=1S/C21H26N4O/c26-21(25-17-8-2-1-3-9-17)20-19(22-10-11-23-20)14-24-18-12-15-6-4-5-7-16(15)13-18/h4-7,10-11,17-18,24H,1-3,8-9,12-14H2,(H,25,26)
InChIKeyRTIAUWUFJDTICV-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.80
Rot. Bonds5

About N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide

N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide (PubChem CID 160722810) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide
PubChem CID160722810
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nccnc1CNC1Cc2ccccc2C1
InChIInChI=1S/C21H26N4O/c26-21(25-17-8-2-1-3-9-17)20-19(22-10-11-23-20)14-24-18-12-15-6-4-5-7-16(15)13-18/h4-7,10-11,17-18,24H,1-3,8-9,12-14H2,(H,25,26)
InChIKeyRTIAUWUFJDTICV-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2,7-naphthyridine-1-carboxamide
CID 166311293
N-(2,3-dihydro-1H-inden-2-yl)-3-(piperidine-2-carbonylamino)pyrazine-2-carboxamide
CID 146694117
3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
CID 10267750
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 161114883
1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 147948211
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
CID 169247880

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide (CID 160722810) is N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide is O=C(NC1CCCCC1)c1nccnc1CNC1Cc2ccccc2C1.
What is the InChIKey of N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide?
The InChIKey is RTIAUWUFJDTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-17-8-2-1-3-9-17)20-19(22-10-11-23-20)14-24-18-12-15-6-4-5-7-16(15)13-18/h4-7,10-11,17-18,24H,1-3,8-9,12-14H2,(H,25,26).
What are the key properties of N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide?
N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 160722810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).