N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide

C13H16FN3O2 — CID 115646353

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(CCCNC(=O)c1ccncc1F)NC1CC1
InChIInChI=1S/C13H16FN3O2/c14-11-8-15-7-5-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H,16,19)(H,17,18)
InChIKeyKIAWOUCFMOGXSQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.01
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide (PubChem CID 115646353) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
PubChem CID115646353
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(CCCNC(=O)c1ccncc1F)NC1CC1
InChIInChI=1S/C13H16FN3O2/c14-11-8-15-7-5-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H,16,19)(H,17,18)
InChIKeyKIAWOUCFMOGXSQ-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide (CID 115646353) is N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide is O=C(CCCNC(=O)c1ccncc1F)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is KIAWOUCFMOGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-8-15-7-5-10(11)13(19)16-6-1-2-12(18)17-9-3-4-9/h5,7-9H,1-4,6H2,(H,16,19)(H,17,18).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).