2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C14H18FN5O — CID 105384707

IUPAC2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCn2ccnc2)c1F
InChIInChI=1S/C14H18FN5O/c1-2-17-13-12(15)11(4-6-18-13)14(21)19-5-3-8-20-9-7-16-10-20/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)(H,19,21)
InChIKeyGRXDEYXVBJZAOK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.67
Rot. Bonds7

About 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 105384707) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID105384707
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCn2ccnc2)c1F
InChIInChI=1S/C14H18FN5O/c1-2-17-13-12(15)11(4-6-18-13)14(21)19-5-3-8-20-9-7-16-10-20/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)(H,19,21)
InChIKeyGRXDEYXVBJZAOK-UHFFFAOYSA-N
XLogP1.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105386972
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 105384707) is 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is CCNc1nccc(C(=O)NCCCn2ccnc2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is GRXDEYXVBJZAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-2-17-13-12(15)11(4-6-18-13)14(21)19-5-3-8-20-9-7-16-10-20/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).