ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate

C18H23N3O2 — CID 113032953

IUPACethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-5-23-17(22)21-16-11-10-15(12-19-16)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5H2,1-4H3,(H,19,21,22)
InChIKeyPIQSNGJPAOUAIF-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.69
Rot. Bonds4

About ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate

ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate (PubChem CID 113032953) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
PubChem CID113032953
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-5-23-17(22)21-16-11-10-15(12-19-16)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5H2,1-4H3,(H,19,21,22)
InChIKeyPIQSNGJPAOUAIF-UHFFFAOYSA-N
XLogP4.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate (CID 113032953) is ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate?
The InChIKey is PIQSNGJPAOUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-23-17(22)21-16-11-10-15(12-19-16)20-14-8-6-13(7-9-14)18(2,3)4/h6-12,20H,5H2,1-4H3,(H,19,21,22).
What are the key properties of ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113032953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).