1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide

C15H21N3O2 — CID 142640688

IUPAC1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1cnccc1NC(=O)C1(CC(N)=O)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-11-10-17-8-5-12(11)18-14(20)15(9-13(16)19)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyPDWQYEUSQQILPH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide

1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 142640688) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
PubChem CID142640688
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1cnccc1NC(=O)C1(CC(N)=O)CCCCC1
InChIInChI=1S/C15H21N3O2/c1-11-10-17-8-5-12(11)18-14(20)15(9-13(16)19)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H2,16,19)(H,17,18,20)
InChIKeyPDWQYEUSQQILPH-UHFFFAOYSA-N
XLogP2.15
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-carbamothioyl-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 80591376
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 78995050
4-carbamothioyl-N-(3-methyl-4-pyridinyl)oxane-4-carboxamide
CID 63672227
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
2-(methoxymethyl)-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 154735703
N-(3-hydroxy-4-pyridinyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 86786304
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
1-(N'-hydroxycarbamimidoyl)-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 77011534
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide (CID 142640688) is 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide is Cc1cnccc1NC(=O)C1(CC(N)=O)CCCCC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is PDWQYEUSQQILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-10-17-8-5-12(11)18-14(20)15(9-13(16)19)6-3-2-4-7-15/h5,8,10H,2-4,6-7,9H2,1H3,(H2,16,19)(H,17,18,20).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide?
1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(3-methyl-4-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 142640688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).