N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide

C16H22N6O — CID 133330173

IUPACN-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C16H22N6O/c1-17-16(23)14-6-3-7-18-15(14)20-12-5-4-8-22(10-12)13-9-19-21(2)11-13/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,17,23)(H,18,20)
InChIKeyNNDKKHHXFBANQJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds4

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

N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 133330173) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID133330173
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C16H22N6O/c1-17-16(23)14-6-3-7-18-15(14)20-12-5-4-8-22(10-12)13-9-19-21(2)11-13/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,17,23)(H,18,20)
InChIKeyNNDKKHHXFBANQJ-UHFFFAOYSA-N
XLogP1.26
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide (CID 133330173) is N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide is CNC(=O)c1cccnc1NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is NNDKKHHXFBANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-17-16(23)14-6-3-7-18-15(14)20-12-5-4-8-22(10-12)13-9-19-21(2)11-13/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,17,23)(H,18,20).
What are the key properties of N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide?
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133330173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).