ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate

C17H21N3O3 — CID 113034594

IUPACethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C17H21N3O3/c1-4-22-17(21)20-16-10-7-14(11-18-16)19-13-5-8-15(9-6-13)23-12(2)3/h5-12,19H,4H2,1-3H3,(H,18,20,21)
InChIKeyVGHVLWXGLLXBBJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.18
Rot. Bonds6

About ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate

ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate (PubChem CID 113034594) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
PubChem CID113034594
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C17H21N3O3/c1-4-22-17(21)20-16-10-7-14(11-18-16)19-13-5-8-15(9-6-13)23-12(2)3/h5-12,19H,4H2,1-3H3,(H,18,20,21)
InChIKeyVGHVLWXGLLXBBJ-UHFFFAOYSA-N
XLogP4.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[5-(4-propan-2-yloxyanilino)-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

ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate (CID 113034594) is ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate?
The InChIKey is VGHVLWXGLLXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-22-17(21)20-16-10-7-14(11-18-16)19-13-5-8-15(9-6-13)23-12(2)3/h5-12,19H,4H2,1-3H3,(H,18,20,21).
What are the key properties of ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113034594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).