2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide

C27H23N7O2 — CID 39058604

IUPAC2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C27H23N7O2/c35-26(28-14-20-16-30-33(18-20)22-8-3-1-4-9-22)24-12-7-13-25(32-24)27(36)29-15-21-17-31-34(19-21)23-10-5-2-6-11-23/h1-13,16-19H,14-15H2,(H,28,35)(H,29,36)
InChIKeyNACJSWWVNZWZSQ-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.31
Rot. Bonds8

About 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 39058604) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
PubChem CID39058604
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C27H23N7O2/c35-26(28-14-20-16-30-33(18-20)22-8-3-1-4-9-22)24-12-7-13-25(32-24)27(36)29-15-21-17-31-34(19-21)23-10-5-2-6-11-23/h1-13,16-19H,14-15H2,(H,28,35)(H,29,36)
InChIKeyNACJSWWVNZWZSQ-UHFFFAOYSA-N
XLogP3.31
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70303037
2-(1,2-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51488523
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824669

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide (CID 39058604) is 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cccc(C(=O)NCc2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is NACJSWWVNZWZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c35-26(28-14-20-16-30-33(18-20)22-8-3-1-4-9-22)24-12-7-13-25(32-24)27(36)29-15-21-17-31-34(19-21)23-10-5-2-6-11-23/h1-13,16-19H,14-15H2,(H,28,35)(H,29,36).
What are the key properties of 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 477.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 39058604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).