tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate

C18H29N3O2 — CID 107243179

IUPACtert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
SMILESCC1CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)C(C)C1
InChIInChI=1S/C18H29N3O2/c1-12-6-8-15(13(2)10-12)20-14-7-9-16(19-11-14)21-17(22)23-18(3,4)5/h7,9,11-13,15,20H,6,8,10H2,1-5H3,(H,19,21,22)
InChIKeyUSKSQJBUUBEETD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate (PubChem CID 107243179) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
PubChem CID107243179
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
SMILESCC1CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)C(C)C1
InChIInChI=1S/C18H29N3O2/c1-12-6-8-15(13(2)10-12)20-14-7-9-16(19-11-14)21-17(22)23-18(3,4)5/h7,9,11-13,15,20H,6,8,10H2,1-5H3,(H,19,21,22)
InChIKeyUSKSQJBUUBEETD-UHFFFAOYSA-N
XLogP4.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
CID 103933766
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine
CID 63995658
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate (CID 107243179) is tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate is CC1CCC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)C(C)C1.
What is the InChIKey of tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
The InChIKey is USKSQJBUUBEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12-6-8-15(13(2)10-12)20-14-7-9-16(19-11-14)21-17(22)23-18(3,4)5/h7,9,11-13,15,20H,6,8,10H2,1-5H3,(H,19,21,22).
What are the key properties of tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 107243179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).