(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate

C14H20N2O2 — CID 64746905

IUPAC(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate
SMILESCC1CCC(OC(=O)c2ccnc(N)c2)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)18-14(17)11-5-6-16-13(15)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyIRILZUYUSJRPMA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.65
Rot. Bonds2

About (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate

(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate (PubChem CID 64746905) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate
PubChem CID64746905
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate
SMILESCC1CCC(OC(=O)c2ccnc(N)c2)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)18-14(17)11-5-6-16-13(15)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyIRILZUYUSJRPMA-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-aminopyridine-4-carboxylate
CID 236984
Ethyl 2-aminopyridine-4-carboxylate
CID 7015521
(4-Tert-butylcyclohexyl) pyridine-4-carboxylate
CID 2426136
3-(Pyridin-2-ylamino)-3H-isobenzofuran-1-one
CID 3152834
1-Cyclohexyloxycarbonyloxyethyl 6-aminopyridine-3-carboxylate
CID 168281541
Isopropyl 6-aminonicotinate
CID 58772612
Tert-butyl 2-aminopyridine-4-carboxylate
CID 64397163
Methyl 2-amino-5-methylpyridine-4-carboxylate
CID 118326917
3-[(3-methyl-2-pyridinyl)amino]-2-benzofuran-1(3H)-one
CID 330526
3-(4-Methyl-pyridin-2-ylamino)-3H-isobenzofuran-1-one
CID 3152837
2-[(1R,2S,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohexyl]prop-2-enyl pyridine-4-carboxylate
CID 86581166
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl pyridine-4-carboxylate
CID 118707511

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate (CID 64746905) is (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate is CC1CCC(OC(=O)c2ccnc(N)c2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate?
The InChIKey is IRILZUYUSJRPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-3-4-12(7-10(9)2)18-14(17)11-5-6-16-13(15)8-11/h5-6,8-10,12H,3-4,7H2,1-2H3,(H2,15,16).
What are the key properties of (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate?
(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate is sourced from PubChem (CID 64746905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).