N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C20H25N5O — CID 70316358

IUPACN-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESNC1C2CC3CC(C2)C(NC(=O)c2ccnc4nc(C5CC5)[nH]c24)C1C3
InChIInChI=1S/C20H25N5O/c21-15-11-5-9-6-12(8-11)16(14(15)7-9)24-20(26)13-3-4-22-19-17(13)23-18(25-19)10-1-2-10/h3-4,9-12,14-16H,1-2,5-8,21H2,(H,24,26)(H,22,23,25)
InChIKeyBVIMLYJVQOCATF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.33
Rot. Bonds3

About N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 70316358) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID70316358
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESNC1C2CC3CC(C2)C(NC(=O)c2ccnc4nc(C5CC5)[nH]c24)C1C3
InChIInChI=1S/C20H25N5O/c21-15-11-5-9-6-12(8-11)16(14(15)7-9)24-20(26)13-3-4-22-19-17(13)23-18(25-19)10-1-2-10/h3-4,9-12,14-16H,1-2,5-8,21H2,(H,24,26)(H,22,23,25)
InChIKeyBVIMLYJVQOCATF-UHFFFAOYSA-N
XLogP2.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 70316358) is N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is NC1C2CC3CC(C2)C(NC(=O)c2ccnc4nc(C5CC5)[nH]c24)C1C3.
What is the InChIKey of N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is BVIMLYJVQOCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-15-11-5-9-6-12(8-11)16(14(15)7-9)24-20(26)13-3-4-22-19-17(13)23-18(25-19)10-1-2-10/h3-4,9-12,14-16H,1-2,5-8,21H2,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-adamantyl)-2-cyclopropyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70316358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).