5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

C14H24N4O — CID 106050159

IUPAC5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCN(C)C(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-11(2)18(4)9-5-8-16-14(19)13-7-6-12(15-3)10-17-13/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyWIOLZKCELJBKQX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.58
Rot. Bonds7

About 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (PubChem CID 106050159) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
PubChem CID106050159
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCN(C)C(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-11(2)18(4)9-5-8-16-14(19)13-7-6-12(15-3)10-17-13/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyWIOLZKCELJBKQX-UHFFFAOYSA-N
XLogP1.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.58
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

N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
5-(ethylamino)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 104641912
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (CID 106050159) is 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is CNc1ccc(C(=O)NCCCN(C)C(C)C)nc1.
What is the InChIKey of 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is WIOLZKCELJBKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)18(4)9-5-8-16-14(19)13-7-6-12(15-3)10-17-13/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,16,19).
What are the key properties of 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 106050159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).