3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C15H24N4O — CID 105069979

IUPAC3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H24N4O/c1-2-17-14-12-16-8-6-13(14)15(20)18-7-5-11-19-9-3-4-10-19/h6,8,12,17H,2-5,7,9-11H2,1H3,(H,18,20)
InChIKeyHCQGRFBVXDOZRE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds7

About 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 105069979) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID105069979
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H24N4O/c1-2-17-14-12-16-8-6-13(14)15(20)18-7-5-11-19-9-3-4-10-19/h6,8,12,17H,2-5,7,9-11H2,1H3,(H,18,20)
InChIKeyHCQGRFBVXDOZRE-UHFFFAOYSA-N
XLogP1.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
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

4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
3-(ethylamino)-N-piperidin-1-ylpyridine-4-carboxamide
CID 105070981
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327044
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
3-(3-pyrrolidin-1-ylpropylamino)pyridine-4-carbothioamide
CID 114288517
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 105069979) is 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCCN1CCCC1.
What is the InChIKey of 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is HCQGRFBVXDOZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-17-14-12-16-8-6-13(14)15(20)18-7-5-11-19-9-3-4-10-19/h6,8,12,17H,2-5,7,9-11H2,1H3,(H,18,20).
What are the key properties of 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105069979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).