2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 60942050

IUPAC2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h7-9,11-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKKYJGNQDNKPZHS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds4

About 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 60942050) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID60942050
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h7-9,11-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyKKYJGNQDNKPZHS-UHFFFAOYSA-N
XLogP1.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 64822752
N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrrolidine-3-carboxamide
CID 79388822
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266381
(1S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738320
cis-(1R,2S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 675757
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
N-[6-(dimethylamino)-3-pyridinyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260021

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 60942050) is 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cn1.
What is the InChIKey of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KKYJGNQDNKPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h7-9,11-12H,3-6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60942050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).