6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide

C13H21N3O2 — CID 61275158

IUPAC6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
SMILESCOc1ccc(CNC(=O)CCCCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-18-13-7-6-11(10-16-13)9-15-12(17)5-3-2-4-8-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,17)
InChIKeyCVHGCBORIGCVQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds8

About 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide

6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide (PubChem CID 61275158) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
PubChem CID61275158
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
SMILESCOc1ccc(CNC(=O)CCCCCN)cn1
InChIInChI=1S/C13H21N3O2/c1-18-13-7-6-11(10-16-13)9-15-12(17)5-3-2-4-8-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,17)
InChIKeyCVHGCBORIGCVQJ-UHFFFAOYSA-N
XLogP1.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 91646463
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide (CID 61275158) is 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide is COc1ccc(CNC(=O)CCCCCN)cn1.
What is the InChIKey of 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide?
The InChIKey is CVHGCBORIGCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-13-7-6-11(10-16-13)9-15-12(17)5-3-2-4-8-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide?
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide has a molecular weight of 251.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 61275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).