4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C13H20N4O — CID 81239986

IUPAC4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC1CCN(C)C1
InChIInChI=1S/C13H20N4O/c1-3-15-12-4-6-14-8-11(12)13(18)16-10-5-7-17(2)9-10/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyZAFNRMVAJSGMIN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.95
Rot. Bonds4

About 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 81239986) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID81239986
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NC1CCN(C)C1
InChIInChI=1S/C13H20N4O/c1-3-15-12-4-6-14-8-11(12)13(18)16-10-5-7-17(2)9-10/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyZAFNRMVAJSGMIN-UHFFFAOYSA-N
XLogP0.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 115115642
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81232405
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
4-(ethylamino)-6-methyl-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243267
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
6-methyl-N-(1-methylpyrrolidin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81240249
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
3-hydrazinyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105071671

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 81239986) is 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NC1CCN(C)C1.
What is the InChIKey of 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is ZAFNRMVAJSGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-15-12-4-6-14-8-11(12)13(18)16-10-5-7-17(2)9-10/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81239986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).