N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide

C12H14FN3O2 — CID 115598986

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccnc(F)c1
InChIInChI=1S/C12H14FN3O2/c13-10-7-9(3-4-14-10)12(18)16-6-5-15-11(17)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18)
InChIKeyKLFCSBXKYHDJJM-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide (PubChem CID 115598986) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
PubChem CID115598986
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccnc(F)c1
InChIInChI=1S/C12H14FN3O2/c13-10-7-9(3-4-14-10)12(18)16-6-5-15-11(17)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18)
InChIKeyKLFCSBXKYHDJJM-UHFFFAOYSA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
CID 115610674
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide (CID 115598986) is N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide is O=C(NCCNC(=O)C1CC1)c1ccnc(F)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is KLFCSBXKYHDJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-10-7-9(3-4-14-10)12(18)16-6-5-15-11(17)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115598986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).