3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

C14H18FN5O — CID 105385645

IUPAC3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCc2cnn(C)c2)c1F
InChIInChI=1S/C14H18FN5O/c1-3-5-16-13-12(15)11(4-6-17-13)14(21)18-7-10-8-19-20(2)9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyQFJIDAVLFCDFCE-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.71
Rot. Bonds6

About 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105385645) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID105385645
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCc2cnn(C)c2)c1F
InChIInChI=1S/C14H18FN5O/c1-3-5-16-13-12(15)11(4-6-17-13)14(21)18-7-10-8-19-20(2)9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyQFJIDAVLFCDFCE-UHFFFAOYSA-N
XLogP1.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 105386261
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105386738
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157
N-[2-(ethylamino)-2-oxoethyl]-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384867
3-fluoro-N-(2-methylsulfinylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 105387416
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408130
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
N-(1,4-dithian-2-ylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387471
3-fluoro-N-[2-(furan-2-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 105385394

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (CID 105385645) is 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)NCc2cnn(C)c2)c1F.
What is the InChIKey of 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is QFJIDAVLFCDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-3-5-16-13-12(15)11(4-6-17-13)14(21)18-7-10-8-19-20(2)9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).