6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C22H24N4O2 — CID 11199737

IUPAC6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cc(C3CC3)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H24N4O2/c23-12-16-2-1-3-18(10-16)26-21-11-19(17-4-5-17)20(14-24-21)22(27)25-13-15-6-8-28-9-7-15/h1-3,10-11,14-15,17H,4-9,13H2,(H,24,26)(H,25,27)
InChIKeyUDUMGUJKCNZMGP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.73
Rot. Bonds6

About 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 11199737) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID11199737
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESN#Cc1cccc(Nc2cc(C3CC3)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H24N4O2/c23-12-16-2-1-3-18(10-16)26-21-11-19(17-4-5-17)20(14-24-21)22(27)25-13-15-6-8-28-9-7-15/h1-3,10-11,14-15,17H,4-9,13H2,(H,24,26)(H,25,27)
InChIKeyUDUMGUJKCNZMGP-UHFFFAOYSA-N
XLogP3.73
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 11199737) is 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is N#Cc1cccc(Nc2cc(C3CC3)c(C(=O)NCC3CCOCC3)cn2)c1.
What is the InChIKey of 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UDUMGUJKCNZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-12-16-2-1-3-18(10-16)26-21-11-19(17-4-5-17)20(14-24-21)22(27)25-13-15-6-8-28-9-7-15/h1-3,10-11,14-15,17H,4-9,13H2,(H,24,26)(H,25,27).
What are the key properties of 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11199737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).