N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide

C22H25N3O — CID 175969711

IUPACN-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
SMILESNC12C[C@H]3C[C@@H](C1)CC(NC(=O)c1ccc(-c4ccccc4)nc1)(C3)C2
InChIInChI=1S/C22H25N3O/c23-21-9-15-8-16(10-21)12-22(11-15,14-21)25-20(26)18-6-7-19(24-13-18)17-4-2-1-3-5-17/h1-7,13,15-16H,8-12,14,23H2,(H,25,26)/t15-,16+,21?,22?
InChIKeyBMILEBUAPVPALU-MBWAJUJLSA-N
MW347.46 g/mol
LogP3.53
Rot. Bonds3

About N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide

N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide (PubChem CID 175969711) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
PubChem CID175969711
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
SMILESNC12C[C@H]3C[C@@H](C1)CC(NC(=O)c1ccc(-c4ccccc4)nc1)(C3)C2
InChIInChI=1S/C22H25N3O/c23-21-9-15-8-16(10-21)12-22(11-15,14-21)25-20(26)18-6-7-19(24-13-18)17-4-2-1-3-5-17/h1-7,13,15-16H,8-12,14,23H2,(H,25,26)/t15-,16+,21?,22?
InChIKeyBMILEBUAPVPALU-MBWAJUJLSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-1-adamantyl)benzamide
CID 67481027
N-[(5S,7R)-3-amino-1-adamantyl]-4-pyridin-2-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175969875
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
CID 67481788
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
phenyl-(6-phenyl-3-pyridinyl)methanone
CID 10890606
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
N-(3-amino-1-adamantyl)-6-methylpyrazine-2-carboxamide;4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 162621516
N-(3-amino-1-adamantyl)-2,2-difluorocyclopropane-1-carboxamide
CID 68619900
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide (CID 175969711) is N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide is NC12C[C@H]3C[C@@H](C1)CC(NC(=O)c1ccc(-c4ccccc4)nc1)(C3)C2.
What is the InChIKey of N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is BMILEBUAPVPALU-MBWAJUJLSA-N. The full InChI is InChI=1S/C22H25N3O/c23-21-9-15-8-16(10-21)12-22(11-15,14-21)25-20(26)18-6-7-19(24-13-18)17-4-2-1-3-5-17/h1-7,13,15-16H,8-12,14,23H2,(H,25,26)/t15-,16+,21?,22?.
What are the key properties of N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide?
N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 175969711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).