N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide

C14H18N2O3 — CID 69087854

IUPACN-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(C(O)=C2CC2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C14H18N2O3/c1-8-6-10(12(17)9-4-5-9)7-11(15-8)16-13(18)14(2,3)19/h6-7,17,19H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyHZBTYVOFKXUGJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.16
Rot. Bonds3

About N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide

N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 69087854) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide
PubChem CID69087854
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCc1cc(C(O)=C2CC2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C14H18N2O3/c1-8-6-10(12(17)9-4-5-9)7-11(15-8)16-13(18)14(2,3)19/h6-7,17,19H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyHZBTYVOFKXUGJW-UHFFFAOYSA-N
XLogP2.16
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67510320
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
2-hydroxy-2-methyl-N-(2-methylquinolin-6-yl)propanamide
CID 139918789
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
CID 161055186
2-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-2-ethylbutanamide
CID 114932033
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-2-ethylbutanoic acid
CID 114765509
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide (CID 69087854) is N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide is Cc1cc(C(O)=C2CC2)cc(NC(=O)C(C)(C)O)n1.
What is the InChIKey of N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is HZBTYVOFKXUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-6-10(12(17)9-4-5-9)7-11(15-8)16-13(18)14(2,3)19/h6-7,17,19H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide?
N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 262.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 69087854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).