[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate

C26H23N5O3 — CID 68724451

IUPAC[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate
SMILESCC(OC(N)=O)(c1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)c1cccnc1
InChIInChI=1S/C26H23N5O3/c1-26(34-25(28)33,20-8-5-15-29-16-20)19-11-9-18(10-12-19)24(32)31-23-21(27)13-14-22(30-23)17-6-3-2-4-7-17/h2-16H,27H2,1H3,(H2,28,33)(H,30,31,32)
InChIKeyYDQOXEXOCFWKRX-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.34
Rot. Bonds6

About [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate

[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate (PubChem CID 68724451) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate.

Molecular Properties

Compound Name[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate
PubChem CID68724451
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate
SMILESCC(OC(N)=O)(c1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)c1cccnc1
InChIInChI=1S/C26H23N5O3/c1-26(34-25(28)33,20-8-5-15-29-16-20)19-11-9-18(10-12-19)24(32)31-23-21(27)13-14-22(30-23)17-6-3-2-4-7-17/h2-16H,27H2,1H3,(H2,28,33)(H,30,31,32)
InChIKeyYDQOXEXOCFWKRX-UHFFFAOYSA-N
XLogP4.34
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate?
The IUPAC name of [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate (CID 68724451) is [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate.
What is the SMILES notation for [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate?
The canonical SMILES for [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate is CC(OC(N)=O)(c1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1)c1cccnc1.
What is the InChIKey of [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate?
The InChIKey is YDQOXEXOCFWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-26(34-25(28)33,20-8-5-15-29-16-20)19-11-9-18(10-12-19)24(32)31-23-21(27)13-14-22(30-23)17-6-3-2-4-7-17/h2-16H,27H2,1H3,(H2,28,33)(H,30,31,32).
What are the key properties of [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate?
[1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate has a molecular weight of 453.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]-1-pyridin-3-ylethyl] carbamate is sourced from PubChem (CID 68724451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).