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

C21H21N3O3 — CID 113035842

IUPACethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H21N3O3/c1-2-26-21(25)24-20-13-10-18(14-22-20)23-17-8-11-19(12-9-17)27-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,22,24,25)
InChIKeyVOOHOCMGKDUJJS-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.97
Rot. Bonds7

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

ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate (PubChem CID 113035842) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
PubChem CID113035842
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Nameethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C21H21N3O3/c1-2-26-21(25)24-20-13-10-18(14-22-20)23-17-8-11-19(12-9-17)27-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,22,24,25)
InChIKeyVOOHOCMGKDUJJS-UHFFFAOYSA-N
XLogP4.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate (CID 113035842) is ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate?
The InChIKey is VOOHOCMGKDUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-26-21(25)24-20-13-10-18(14-22-20)23-17-8-11-19(12-9-17)27-15-16-6-4-3-5-7-16/h3-14,23H,2,15H2,1H3,(H,22,24,25).
What are the key properties of ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate?
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).