2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C16H16N4O2 — CID 109078635

IUPAC2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H16N4O2/c21-15(19-10-11-3-6-17-7-4-11)12-5-8-18-14(9-12)16(22)20-13-1-2-13/h3-9,13H,1-2,10H2,(H,19,21)(H,20,22)
InChIKeyFJZSANBUHPCIAN-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.30
Rot. Bonds5

About 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109078635) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109078635
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H16N4O2/c21-15(19-10-11-3-6-17-7-4-11)12-5-8-18-14(9-12)16(22)20-13-1-2-13/h3-9,13H,1-2,10H2,(H,19,21)(H,20,22)
InChIKeyFJZSANBUHPCIAN-UHFFFAOYSA-N
XLogP1.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
2-N-cyclopentyl-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109080870
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
4-N-cyclopropyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109078430
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109078635) is 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is O=C(NCc1ccncc1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is FJZSANBUHPCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(19-10-11-3-6-17-7-4-11)12-5-8-18-14(9-12)16(22)20-13-1-2-13/h3-9,13H,1-2,10H2,(H,19,21)(H,20,22).
What are the key properties of 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).