ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate

C21H22N4O2 — CID 137420684

IUPACethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)24-18-12-13-19(25-20(18)22)23-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,24,26)(H3,22,23,25)
InChIKeyWKYHUYYWPOHNCF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.51
Rot. Bonds6

About ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 137420684) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID137420684
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Nameethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)nc1N
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)24-18-12-13-19(25-20(18)22)23-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,24,26)(H3,22,23,25)
InChIKeyWKYHUYYWPOHNCF-UHFFFAOYSA-N
XLogP4.51
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate (CID 137420684) is ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is WKYHUYYWPOHNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-21(26)24-18-12-13-19(25-20(18)22)23-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,24,26)(H3,22,23,25).
What are the key properties of ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(4-phenylphenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 137420684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).