5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

C19H22N6O — CID 23143450

IUPAC5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CN)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C19H22N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4,10,20H2,1-3H3
InChIKeyBWMSSMDDJHSJEA-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.19
Rot. Bonds5

About 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 23143450) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID23143450
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CN)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C19H22N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4,10,20H2,1-3H3
InChIKeyBWMSSMDDJHSJEA-UHFFFAOYSA-N
XLogP2.19
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143800
5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 71168109
N-ethyl-5-(5-hydroxy-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 135697947
[6-[1-(6-methyl-3-pyridinyl)-3-(propylcarbamoyl)pyrazol-5-yl]-3-pyridinyl]methylcarbamic acid
CID 23143602
N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
CID 23143409
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597
4-(aminomethyl)-N-ethyl-N-methylpyridine-2-carboxamide
CID 115116977
5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 58806815
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143604
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 167942618

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (CID 23143450) is 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is CCN(C)C(=O)c1cc(-c2ccc(CN)cn2)n(-c2ccc(C)nc2)n1.
What is the InChIKey of 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BWMSSMDDJHSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-24(3)19(26)17-9-18(16-8-6-14(10-20)11-22-16)25(23-17)15-7-5-13(2)21-12-15/h5-9,11-12H,4,10,20H2,1-3H3.
What are the key properties of 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 23143450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).