6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C24H23N7O — CID 165414882

IUPAC6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)[nH]1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O/c32-24(27-11-10-18-14-28-23(30-18)17-4-2-1-3-5-17)22-21(29-19-12-25-15-26-13-19)9-8-20(31-22)16-6-7-16/h1-5,8-9,12-16,29H,6-7,10-11H2,(H,27,32)(H,28,30)
InChIKeyANUDOEGVFCWLCT-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.86
Rot. Bonds8

About 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165414882) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165414882
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1cnc(-c2ccccc2)[nH]1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O/c32-24(27-11-10-18-14-28-23(30-18)17-4-2-1-3-5-17)22-21(29-19-12-25-15-26-13-19)9-8-20(31-22)16-6-7-16/h1-5,8-9,12-16,29H,6-7,10-11H2,(H,27,32)(H,28,30)
InChIKeyANUDOEGVFCWLCT-UHFFFAOYSA-N
XLogP3.86
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.86
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-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165414882) is 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is ANUDOEGVFCWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c32-24(27-11-10-18-14-28-23(30-18)17-4-2-1-3-5-17)22-21(29-19-12-25-15-26-13-19)9-8-20(31-22)16-6-7-16/h1-5,8-9,12-16,29H,6-7,10-11H2,(H,27,32)(H,28,30).
What are the key properties of 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165414882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).