2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide

C20H22N6O — CID 162664001

IUPAC2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N6O/c21-19-18(20(27)25-16-4-2-1-3-5-16)10-14(11-23-19)15-12-24-26(13-15)17-6-8-22-9-7-17/h1-5,10-13,17,22H,6-9H2,(H2,21,23)(H,25,27)
InChIKeyYJSVSSSRRSTHBV-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 162664001) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID162664001
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N6O/c21-19-18(20(27)25-16-4-2-1-3-5-16)10-14(11-23-19)15-12-24-26(13-15)17-6-8-22-9-7-17/h1-5,10-13,17,22H,6-9H2,(H2,21,23)(H,25,27)
InChIKeyYJSVSSSRRSTHBV-UHFFFAOYSA-N
XLogP2.70
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide (CID 162664001) is 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is YJSVSSSRRSTHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c21-19-18(20(27)25-16-4-2-1-3-5-16)10-14(11-23-19)15-12-24-26(13-15)17-6-8-22-9-7-17/h1-5,10-13,17,22H,6-9H2,(H2,21,23)(H,25,27).
What are the key properties of 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 162664001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).