ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate

C18H23N3O2 — CID 113032879

IUPACethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-5-23-18(22)21-16-10-9-14(11-19-16)20-17-13(4)7-6-8-15(17)12(2)3/h6-12,20H,5H2,1-4H3,(H,19,21,22)
InChIKeyUPUDPAUJGYEPCR-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.83
Rot. Bonds5

About ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate

ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate (PubChem CID 113032879) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
PubChem CID113032879
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-5-23-18(22)21-16-10-9-14(11-19-16)20-17-13(4)7-6-8-15(17)12(2)3/h6-12,20H,5H2,1-4H3,(H,19,21,22)
InChIKeyUPUDPAUJGYEPCR-UHFFFAOYSA-N
XLogP4.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate (CID 113032879) is ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2c(C)cccc2C(C)C)cn1.
What is the InChIKey of ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate?
The InChIKey is UPUDPAUJGYEPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-23-18(22)21-16-10-9-14(11-19-16)20-17-13(4)7-6-8-15(17)12(2)3/h6-12,20H,5H2,1-4H3,(H,19,21,22).
What are the key properties of ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113032879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).