5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

C18H17ClN4O2 — CID 122275266

IUPAC5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-13(10-22-23)17-12(4-3-7-20-17)9-21-18(24)15-8-14(19)5-6-16(15)25-2/h3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyWNAGKVJJLSBURV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 122275266) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID122275266
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-13(10-22-23)17-12(4-3-7-20-17)9-21-18(24)15-8-14(19)5-6-16(15)25-2/h3-8,10-11H,9H2,1-2H3,(H,21,24)
InChIKeyWNAGKVJJLSBURV-UHFFFAOYSA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
2,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]furan-3-carboxamide
CID 122275217
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 119105613
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 122275266) is 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1cccnc1-c1cnn(C)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is WNAGKVJJLSBURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23-11-13(10-22-23)17-12(4-3-7-20-17)9-21-18(24)15-8-14(19)5-6-16(15)25-2/h3-8,10-11H,9H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122275266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).