1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide

C18H18N6O2 — CID 29097126

IUPAC1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H18N6O2/c1-24-16(18(26)22-12-14-5-3-7-20-10-14)8-15(23-24)17(25)21-11-13-4-2-6-19-9-13/h2-10H,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyAOQBPUFDNNTYHQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.07
Rot. Bonds6

About 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide

1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide (PubChem CID 29097126) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
PubChem CID29097126
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H18N6O2/c1-24-16(18(26)22-12-14-5-3-7-20-10-14)8-15(23-24)17(25)21-11-13-4-2-6-19-9-13/h2-10H,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyAOQBPUFDNNTYHQ-UHFFFAOYSA-N
XLogP1.07
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
5-(3,4-difluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42879103
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
CID 71801417
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
6-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 155985788
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide (CID 29097126) is 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide is Cn1nc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is AOQBPUFDNNTYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-24-16(18(26)22-12-14-5-3-7-20-10-14)8-15(23-24)17(25)21-11-13-4-2-6-19-9-13/h2-10H,11-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).