2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide

C15H17FN4O — CID 105387704

IUPAC2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCc2ccncc2C)c1F
InChIInChI=1S/C15H17FN4O/c1-3-18-14-13(16)12(5-7-19-14)15(21)20-9-11-4-6-17-8-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYQUBVVNNVMDHIY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.29
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 105387704) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID105387704
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCc2ccncc2C)c1F
InChIInChI=1S/C15H17FN4O/c1-3-18-14-13(16)12(5-7-19-14)15(21)20-9-11-4-6-17-8-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYQUBVVNNVMDHIY-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 105387704) is 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is CCNc1nccc(C(=O)NCc2ccncc2C)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is YQUBVVNNVMDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-18-14-13(16)12(5-7-19-14)15(21)20-9-11-4-6-17-8-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).