N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C13H17FN4O2 — CID 105387425

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCNC(=O)C2CC2)c1F
InChIInChI=1S/C13H17FN4O2/c1-15-11-10(14)9(4-5-16-11)13(20)18-7-6-17-12(19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyDEXYMIWYHSBWLU-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.52
Rot. Bonds6

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105387425) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105387425
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCNC(=O)C2CC2)c1F
InChIInChI=1S/C13H17FN4O2/c1-15-11-10(14)9(4-5-16-11)13(20)18-7-6-17-12(19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,19)(H,18,20)
InChIKeyDEXYMIWYHSBWLU-UHFFFAOYSA-N
XLogP0.52
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064707

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105387425) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCNC(=O)C2CC2)c1F.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is DEXYMIWYHSBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-15-11-10(14)9(4-5-16-11)13(20)18-7-6-17-12(19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105387425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).