2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

C16H26N4O2 — CID 56890332

IUPAC2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCOCCCN(C(=O)c1ccnc(N)c1)C1CCN(C)CC1
InChIInChI=1S/C16H26N4O2/c1-19-9-5-14(6-10-19)20(8-3-11-22-2)16(21)13-4-7-18-15(17)12-13/h4,7,12,14H,3,5-6,8-11H2,1-2H3,(H2,17,18)
InChIKeyKWIVCPDZAFCYHD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.24
Rot. Bonds6

About 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 56890332) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID56890332
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCOCCCN(C(=O)c1ccnc(N)c1)C1CCN(C)CC1
InChIInChI=1S/C16H26N4O2/c1-19-9-5-14(6-10-19)20(8-3-11-22-2)16(21)13-4-7-18-15(17)12-13/h4,7,12,14H,3,5-6,8-11H2,1-2H3,(H2,17,18)
InChIKeyKWIVCPDZAFCYHD-UHFFFAOYSA-N
XLogP1.24
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (CID 56890332) is 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is COCCCN(C(=O)c1ccnc(N)c1)C1CCN(C)CC1.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is KWIVCPDZAFCYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-9-5-14(6-10-19)20(8-3-11-22-2)16(21)13-4-7-18-15(17)12-13/h4,7,12,14H,3,5-6,8-11H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 56890332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).