2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate

C23H31ClN4O2 — CID 134426778

IUPAC2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCCC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(-c3ncc(C)cc3C)n2)CC1
InChIInChI=1S/C23H31ClN4O2/c1-6-23(4,5)30-22(29)26-17-9-11-28(12-10-17)19-8-7-18(24)21(27-19)20-16(3)13-15(2)14-25-20/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,26,29)
InChIKeyXGHAYKJIMNPUII-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.30
Rot. Bonds5

About 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate

2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 134426778) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID134426778
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCCC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(-c3ncc(C)cc3C)n2)CC1
InChIInChI=1S/C23H31ClN4O2/c1-6-23(4,5)30-22(29)26-17-9-11-28(12-10-17)19-8-7-18(24)21(27-19)20-16(3)13-15(2)14-25-20/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,26,29)
InChIKeyXGHAYKJIMNPUII-UHFFFAOYSA-N
XLogP5.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
CID 163523529
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(4-butoxy-6-chloro-2-pyridinyl)piperidin-4-yl]carbamate
CID 177282726
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
CID 134426993
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate (CID 134426778) is 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate is CCC(C)(C)OC(=O)NC1CCN(c2ccc(Cl)c(-c3ncc(C)cc3C)n2)CC1.
What is the InChIKey of 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is XGHAYKJIMNPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O2/c1-6-23(4,5)30-22(29)26-17-9-11-28(12-10-17)19-8-7-18(24)21(27-19)20-16(3)13-15(2)14-25-20/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,26,29).
What are the key properties of 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate?
2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 430.98 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 134426778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).