6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C26H21N7O — CID 165415031

IUPAC6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H21N7O/c34-26(24-22(29-19-13-27-15-28-14-19)11-10-20(31-24)16-6-7-16)30-18-8-9-21-23(12-18)33-25(32-21)17-4-2-1-3-5-17/h1-5,8-16,29H,6-7H2,(H,30,34)(H,32,33)
InChIKeySWFVAOMFSIRZTR-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.29
Rot. Bonds6

About 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415031) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415031
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H21N7O/c34-26(24-22(29-19-13-27-15-28-14-19)11-10-20(31-24)16-6-7-16)30-18-8-9-21-23(12-18)33-25(32-21)17-4-2-1-3-5-17/h1-5,8-16,29H,6-7H2,(H,30,34)(H,32,33)
InChIKeySWFVAOMFSIRZTR-UHFFFAOYSA-N
XLogP5.29
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415031) is 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is SWFVAOMFSIRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c34-26(24-22(29-19-13-27-15-28-14-19)11-10-20(31-24)16-6-7-16)30-18-8-9-21-23(12-18)33-25(32-21)17-4-2-1-3-5-17/h1-5,8-16,29H,6-7H2,(H,30,34)(H,32,33).
What are the key properties of 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-phenyl-3H-benzimidazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).