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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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).