N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide

C20H22N6O2 — CID 86841993

IUPACN-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCN(Cc1ccccn1)C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H22N6O2/c1-25(14-18-7-2-3-9-21-18)20(28)22-13-16-6-4-8-17(12-16)24-19(27)15-26-11-5-10-23-26/h2-12H,13-15H2,1H3,(H,22,28)(H,24,27)
InChIKeyUCNGWSPNDDRKBE-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.26
Rot. Bonds7

About N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide

N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 86841993) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID86841993
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
SMILESCN(Cc1ccccn1)C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C20H22N6O2/c1-25(14-18-7-2-3-9-21-18)20(28)22-13-16-6-4-8-17(12-16)24-19(27)15-26-11-5-10-23-26/h2-12H,13-15H2,1H3,(H,22,28)(H,24,27)
InChIKeyUCNGWSPNDDRKBE-UHFFFAOYSA-N
XLogP2.26
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
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N-[3-[[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 111294449
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N-[3-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
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CID 109499514
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 120986988
2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]cyclohexene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide (CID 86841993) is N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide is CN(Cc1ccccn1)C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is UCNGWSPNDDRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25(14-18-7-2-3-9-21-18)20(28)22-13-16-6-4-8-17(12-16)24-19(27)15-26-11-5-10-23-26/h2-12H,13-15H2,1H3,(H,22,28)(H,24,27).
What are the key properties of N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide?
N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 378.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 86841993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).