pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate

C30H32N6O5 — CID 70654571

IUPACpyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)OCc1cccnc1
InChIInChI=1S/C30H32N6O5/c37-29(25-7-9-26(10-8-25)40-17-14-36-12-15-39-16-13-36)33-28-18-27(34-35-28)24-5-3-22(4-6-24)20-32-30(38)41-21-23-2-1-11-31-19-23/h1-11,18-19H,12-17,20-21H2,(H,32,38)(H2,33,34,35,37)
InChIKeyJOUDYLFKJIFHRC-UHFFFAOYSA-N
MW556.62 g/mol
LogP3.86
Rot. Bonds11

About pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate (PubChem CID 70654571) has the molecular formula C30H32N6O5 and a molecular weight of 556.62 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
PubChem CID70654571
Molecular FormulaC30H32N6O5
Molecular Weight556.62 g/mol
Exact Mass556.24
IUPAC Namepyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)OCc1cccnc1
InChIInChI=1S/C30H32N6O5/c37-29(25-7-9-26(10-8-25)40-17-14-36-12-15-39-16-13-36)33-28-18-27(34-35-28)24-5-3-22(4-6-24)20-32-30(38)41-21-23-2-1-11-31-19-23/h1-11,18-19H,12-17,20-21H2,(H,32,38)(H2,33,34,35,37)
InChIKeyJOUDYLFKJIFHRC-UHFFFAOYSA-N
XLogP3.86
TPSA130.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.62
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate (CID 70654571) is pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate is O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
The InChIKey is JOUDYLFKJIFHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O5/c37-29(25-7-9-26(10-8-25)40-17-14-36-12-15-39-16-13-36)33-28-18-27(34-35-28)24-5-3-22(4-6-24)20-32-30(38)41-21-23-2-1-11-31-19-23/h1-11,18-19H,12-17,20-21H2,(H,32,38)(H2,33,34,35,37).
What are the key properties of pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate has a molecular weight of 556.62 g/mol, XLogP of 3.86, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[3-[[4-(2-morpholin-4-ylethoxy)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 70654571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).