4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide

C18H16N6O2 — CID 5289111

IUPAC4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIKeyNHPBWKYFMTXWAA-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.13
Rot. Bonds6

About 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide

4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide (PubChem CID 5289111) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
PubChem CID5289111
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)NCc2cccnc2)ncn1
InChIInChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIKeyNHPBWKYFMTXWAA-UHFFFAOYSA-N
XLogP1.13
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 9865515
CID 9865515
CID 44631912
CID 44631912
CID 5289110
CID 5289110
CID 5289109
CID 5289109
CID 9947433
CID 9947433
CID 11302050
CID 11302050
CID 11427490
CID 11427490
CID 16719971
CID 16719971
CID 44520942
CID 44520942
CID 44520946
CID 44520946
CID 44520947
CID 44520947
CID 44520948
CID 44520948

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide (CID 5289111) is 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide is O=C(NCc1cccnc1)c1cc(C(=O)NCc2cccnc2)ncn1.
What is the InChIKey of 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide?
The InChIKey is NHPBWKYFMTXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26).
What are the key properties of 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide?
4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 5289111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).