ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate

C14H13Cl2N3O2 — CID 113036803

IUPACethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-2-21-14(20)19-13-4-3-11(8-17-13)18-12-6-9(15)5-10(16)7-12/h3-8,18H,2H2,1H3,(H,17,19,20)
InChIKeyNEVQEKMZNHIBJY-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.70
Rot. Bonds4

About ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate

ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate (PubChem CID 113036803) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
PubChem CID113036803
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Nameethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-2-21-14(20)19-13-4-3-11(8-17-13)18-12-6-9(15)5-10(16)7-12/h3-8,18H,2H2,1H3,(H,17,19,20)
InChIKeyNEVQEKMZNHIBJY-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate (CID 113036803) is ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate?
The InChIKey is NEVQEKMZNHIBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-2-21-14(20)19-13-4-3-11(8-17-13)18-12-6-9(15)5-10(16)7-12/h3-8,18H,2H2,1H3,(H,17,19,20).
What are the key properties of ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate has a molecular weight of 326.18 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113036803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).