N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide

C15H19FN6O — CID 122293470

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2cncc(F)c2)nc(C)n1
InChIInChI=1S/C15H19FN6O/c1-3-18-13-7-14(22-10(2)21-13)19-4-5-20-15(23)11-6-12(16)9-17-8-11/h6-9H,3-5H2,1-2H3,(H,20,23)(H2,18,19,21,22)
InChIKeyHPYYFIZBBAFDEB-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.59
Rot. Bonds7

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide (PubChem CID 122293470) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
PubChem CID122293470
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2cncc(F)c2)nc(C)n1
InChIInChI=1S/C15H19FN6O/c1-3-18-13-7-14(22-10(2)21-13)19-4-5-20-15(23)11-6-12(16)9-17-8-11/h6-9H,3-5H2,1-2H3,(H,20,23)(H2,18,19,21,22)
InChIKeyHPYYFIZBBAFDEB-UHFFFAOYSA-N
XLogP1.59
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
CID 122293459
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122289847
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122293384
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
5-fluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 122294498

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide (CID 122293470) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide is CCNc1cc(NCCNC(=O)c2cncc(F)c2)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is HPYYFIZBBAFDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-3-18-13-7-14(22-10(2)21-13)19-4-5-20-15(23)11-6-12(16)9-17-8-11/h6-9H,3-5H2,1-2H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 122293470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).