N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide

C16H24N2O2 — CID 122569055

IUPACN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NC(c1ncccc1C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-6-5-9-17-13(11)14(12-7-8-12)18-15(19)16(2,3)10-20-4/h5-6,9,12,14H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyDTIDNOYBUBALIE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.63
Rot. Bonds6

About N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide (PubChem CID 122569055) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
PubChem CID122569055
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NC(c1ncccc1C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-6-5-9-17-13(11)14(12-7-8-12)18-15(19)16(2,3)10-20-4/h5-6,9,12,14H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyDTIDNOYBUBALIE-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
CID 125163176
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 119061888
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-pyrazol-1-ylbutanamide
CID 125160409
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
CID 125164383
N-[(4-ethylcyclohexyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 64776463
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
[cycloheptyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209201

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide (CID 122569055) is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide is COCC(C)(C)C(=O)NC(c1ncccc1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide?
The InChIKey is DTIDNOYBUBALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-5-9-17-13(11)14(12-7-8-12)18-15(19)16(2,3)10-20-4/h5-6,9,12,14H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide?
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 122569055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).