5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide

C14H20N4O — CID 63722909

IUPAC5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)9-5-8-16-14(19)13-7-6-12(10-15)11-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQABVAMRQUXZCOQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.41
Rot. Bonds7

About 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide

5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide (PubChem CID 63722909) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
PubChem CID63722909
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)9-5-8-16-14(19)13-7-6-12(10-15)11-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyQABVAMRQUXZCOQ-UHFFFAOYSA-N
XLogP1.41
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide (CID 63722909) is 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide is CCN(CC)CCCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is QABVAMRQUXZCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18(4-2)9-5-8-16-14(19)13-7-6-12(10-15)11-17-13/h6-7,11H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide?
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 63722909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).