benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate

C19H19N5O3 — CID 154775336

IUPACbenzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H19N5O3/c25-18(13-22-19(26)27-14-15-5-2-1-3-6-15)21-12-16-7-9-20-17(11-16)24-10-4-8-23-24/h1-11H,12-14H2,(H,21,25)(H,22,26)
InChIKeyQHPWHAAXLIYTGI-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.81
Rot. Bonds7

About benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate

benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate (PubChem CID 154775336) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
PubChem CID154775336
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Namebenzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H19N5O3/c25-18(13-22-19(26)27-14-15-5-2-1-3-6-15)21-12-16-7-9-20-17(11-16)24-10-4-8-23-24/h1-11H,12-14H2,(H,21,25)(H,22,26)
InChIKeyQHPWHAAXLIYTGI-UHFFFAOYSA-N
XLogP1.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-[2-oxo-2-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]anilino]ethyl]carbamate
CID 122292113
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate (CID 154775336) is benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate?
The InChIKey is QHPWHAAXLIYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18(13-22-19(26)27-14-15-5-2-1-3-6-15)21-12-16-7-9-20-17(11-16)24-10-4-8-23-24/h1-11H,12-14H2,(H,21,25)(H,22,26).
What are the key properties of benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate?
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate has a molecular weight of 365.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 154775336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).