N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide

C19H25N3O — CID 51128363

IUPACN-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H25N3O/c23-18(15-3-4-20-17(8-15)21-16-1-2-16)22-19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14,16H,1-2,5-7,9-11H2,(H,20,21)(H,22,23)
InChIKeyCRUUWANDXJYCSI-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.35
Rot. Bonds4

About N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide

N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide (PubChem CID 51128363) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide
PubChem CID51128363
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H25N3O/c23-18(15-3-4-20-17(8-15)21-16-1-2-16)22-19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14,16H,1-2,5-7,9-11H2,(H,20,21)(H,22,23)
InChIKeyCRUUWANDXJYCSI-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide
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CID 166254965
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11488738
N-(1-adamantyl)-2-amino-6-chloropyridine-4-carboxamide
CID 62153371

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide (CID 51128363) is N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(NC2CC2)c1.
What is the InChIKey of N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide?
The InChIKey is CRUUWANDXJYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-18(15-3-4-20-17(8-15)21-16-1-2-16)22-19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14,16H,1-2,5-7,9-11H2,(H,20,21)(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide?
N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(cyclopropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 51128363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).