4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide

C15H19ClN4O2 — CID 86846936

IUPAC4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2cc(Cl)ccn2)c1C
InChIInChI=1S/C15H19ClN4O2/c1-10-13(11(2)20(19-10)6-7-22-3)9-18-15(21)14-8-12(16)4-5-17-14/h4-5,8H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyXJQYTDKDNUPJCW-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.12
Rot. Bonds6

About 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide

4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 86846936) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
PubChem CID86846936
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2cc(Cl)ccn2)c1C
InChIInChI=1S/C15H19ClN4O2/c1-10-13(11(2)20(19-10)6-7-22-3)9-18-15(21)14-8-12(16)4-5-17-14/h4-5,8H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyXJQYTDKDNUPJCW-UHFFFAOYSA-N
XLogP2.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 35524422
2,2-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropane-1-carboxamide
CID 86846937
1-[1-(2,4-dichlorophenyl)ethyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylguanidine
CID 111310422
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
1-[2-(4-chlorophenoxy)ethyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2-dimethylguanidine
CID 111308330
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853617
(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 48528185
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1H-indazole-7-carboxamide
CID 47079610
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide (CID 86846936) is 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide is COCCn1nc(C)c(CNC(=O)c2cc(Cl)ccn2)c1C.
What is the InChIKey of 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is XJQYTDKDNUPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10-13(11(2)20(19-10)6-7-22-3)9-18-15(21)14-8-12(16)4-5-17-14/h4-5,8H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide?
4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86846936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).