N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide

C24H30N4O — CID 60610002

IUPACN-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)ccn1
InChIInChI=1S/C24H30N4O/c1-28(2)22-12-19(7-8-25-22)23(29)26-20-5-3-4-6-21(20)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h3-8,12,16-18,27H,9-11,13-15H2,1-2H3,(H,26,29)
InChIKeyDOWRRVPBVQQYJP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide

N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide (PubChem CID 60610002) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
PubChem CID60610002
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)ccn1
InChIInChI=1S/C24H30N4O/c1-28(2)22-12-19(7-8-25-22)23(29)26-20-5-3-4-6-21(20)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h3-8,12,16-18,27H,9-11,13-15H2,1-2H3,(H,26,29)
InChIKeyDOWRRVPBVQQYJP-UHFFFAOYSA-N
XLogP4.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
CID 71886791
2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176395
N-[2-(1-adamantylamino)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 52819179
2-(dimethylamino)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-4-carboxamide
CID 146130820
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 4731536
N-(2-methylphenyl)adamantan-1-amine
CID 68755177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide (CID 60610002) is N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide is CN(C)c1cc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)ccn1.
What is the InChIKey of N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide?
The InChIKey is DOWRRVPBVQQYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-28(2)22-12-19(7-8-25-22)23(29)26-20-5-3-4-6-21(20)27-24-13-16-9-17(14-24)11-18(10-16)15-24/h3-8,12,16-18,27H,9-11,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide?
N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 60610002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).