3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

C16H27N3O2 — CID 104741773

IUPAC3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)c1ncccc1N
InChIInChI=1S/C16H27N3O2/c1-2-3-4-5-6-11-19(12-8-13-20)16(21)15-14(17)9-7-10-18-15/h7,9-10,20H,2-6,8,11-13,17H2,1H3
InChIKeyVDEXNBSHGPSAAN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.46
Rot. Bonds10

About 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide

3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (PubChem CID 104741773) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
PubChem CID104741773
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
SMILESCCCCCCCN(CCCO)C(=O)c1ncccc1N
InChIInChI=1S/C16H27N3O2/c1-2-3-4-5-6-11-19(12-8-13-20)16(21)15-14(17)9-7-10-18-15/h7,9-10,20H,2-6,8,11-13,17H2,1H3
InChIKeyVDEXNBSHGPSAAN-UHFFFAOYSA-N
XLogP2.46
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.46
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

3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742746
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide (CID 104741773) is 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is CCCCCCCN(CCCO)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
The InChIKey is VDEXNBSHGPSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-3-4-5-6-11-19(12-8-13-20)16(21)15-14(17)9-7-10-18-15/h7,9-10,20H,2-6,8,11-13,17H2,1H3.
What are the key properties of 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide?
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).