N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide

C18H24N2O — CID 71510461

IUPACN-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
SMILESC[C@]12CC3CC(NC(=O)c4cccnc4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C18H24N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,20,21)/t13?,16-,17+,18?
InChIKeyRXERRVMMGQQHFI-DWLODGJJSA-N
MW284.40 g/mol
LogP3.56
Rot. Bonds2

About N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide

N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide (PubChem CID 71510461) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
PubChem CID71510461
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
SMILESC[C@]12CC3CC(NC(=O)c4cccnc4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C18H24N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,20,21)/t13?,16-,17+,18?
InChIKeyRXERRVMMGQQHFI-DWLODGJJSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
CID 3315534
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
N-methylpyridine-3-carboxamide chloride
CID 20976730
1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea
CID 98157418
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872736
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
N-(1-carbamothioyl-4-methylcyclohexyl)pyridine-3-carboxamide
CID 61120552
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 134505678
2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 79999964
N-[(3S,5S)-3,5-dimethyl-1-adamantyl]-4-ethoxy-3-nitrobenzamide
CID 98182397

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide (CID 71510461) is N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide is C[C@]12CC3CC(NC(=O)c4cccnc4)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide?
The InChIKey is RXERRVMMGQQHFI-DWLODGJJSA-N. The full InChI is InChI=1S/C18H24N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,20,21)/t13?,16-,17+,18?.
What are the key properties of N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide?
N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide is sourced from PubChem (CID 71510461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).