1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C13H15N3O2 — CID 61289720

IUPAC1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1cccnc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H15N3O2/c14-9-10-5-4-8-15-11(10)16-13(12(17)18)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)(H,17,18)
InChIKeyJYGZOTPQEFDUBV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61289720) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61289720
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESN#Cc1cccnc1NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H15N3O2/c14-9-10-5-4-8-15-11(10)16-13(12(17)18)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)(H,17,18)
InChIKeyJYGZOTPQEFDUBV-UHFFFAOYSA-N
XLogP2.15
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
CID 115765447
1-[(2-cyano-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 55155310
1-(5-chloro-2-cyanoanilino)cycloheptane-1-carboxylic acid
CID 63082412
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
1-(4-cyano-3-methylanilino)cycloheptane-1-carboxylic acid
CID 81274418
1-(4-bromo-2-cyanoanilino)cycloheptane-1-carboxylic acid
CID 114890032
1-(4-bromo-2-cyanoanilino)cyclohexane-1-carboxylic acid
CID 114890030
1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid
CID 79868930
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 61289720) is 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is N#Cc1cccnc1NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JYGZOTPQEFDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-10-5-4-8-15-11(10)16-13(12(17)18)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).