N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide

C20H22N4O2 — CID 122273897

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccnn3C)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-6-4-16(5-7-18)20(25)22-12-15-10-17(13-21-11-15)19-8-9-23-24(19)3/h4-11,13-14H,12H2,1-3H3,(H,22,25)
InChIKeyRJKNMPKZXWZDKO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds6

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 122273897) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
PubChem CID122273897
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccnn3C)c2)cc1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-6-4-16(5-7-18)20(25)22-12-15-10-17(13-21-11-15)19-8-9-23-24(19)3/h4-11,13-14H,12H2,1-3H3,(H,22,25)
InChIKeyRJKNMPKZXWZDKO-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide (CID 122273897) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2cncc(-c3ccnn3C)c2)cc1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is RJKNMPKZXWZDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)26-18-6-4-16(5-7-18)20(25)22-12-15-10-17(13-21-11-15)19-8-9-23-24(19)3/h4-11,13-14H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 122273897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).