N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide

C16H25N3O2 — CID 62989722

IUPACN-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CCCCCC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-21-16-10-13(8-9-18-16)11-17-12-15(20)19-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11-12H2,1H3,(H,19,20)
InChIKeyJLZPTWLEOHIHBP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.02
Rot. Bonds6

About N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide

N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide (PubChem CID 62989722) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
PubChem CID62989722
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
SMILESCOc1cc(CNCC(=O)NC2CCCCCC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-21-16-10-13(8-9-18-16)11-17-12-15(20)19-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11-12H2,1H3,(H,19,20)
InChIKeyJLZPTWLEOHIHBP-UHFFFAOYSA-N
XLogP2.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
CID 119129107
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide (CID 62989722) is N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide is COc1cc(CNCC(=O)NC2CCCCCC2)ccn1.
What is the InChIKey of N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide?
The InChIKey is JLZPTWLEOHIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-16-10-13(8-9-18-16)11-17-12-15(20)19-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11-12H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide?
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide is sourced from PubChem (CID 62989722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).