4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide

C23H18N6O2 — CID 68612168

IUPAC4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1c(N)nc(OCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H18N6O2/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
InChIKeyWKAHMRMVDYWVPB-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.94
Rot. Bonds6

About 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide

4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 68612168) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID68612168
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1c(N)nc(OCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H18N6O2/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
InChIKeyWKAHMRMVDYWVPB-UHFFFAOYSA-N
XLogP2.94
TPSA137.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide (CID 68612168) is 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide is N#Cc1c(N)nc(OCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is WKAHMRMVDYWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30).
What are the key properties of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide?
4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)oxymethyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 68612168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).