N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide

C23H20N6O2 — CID 87057580

IUPACN-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)ccn1
InChIInChI=1S/C23H20N6O2/c1-16-12-19(10-11-24-16)26-22(30)17-6-5-9-21(13-17)29-15-20(14-25-29)28-23(31)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26,30)(H2,27,28,31)
InChIKeyUVLFZOYBIPADQR-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.47
Rot. Bonds5

About N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide

N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide (PubChem CID 87057580) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
PubChem CID87057580
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)ccn1
InChIInChI=1S/C23H20N6O2/c1-16-12-19(10-11-24-16)26-22(30)17-6-5-9-21(13-17)29-15-20(14-25-29)28-23(31)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26,30)(H2,27,28,31)
InChIKeyUVLFZOYBIPADQR-UHFFFAOYSA-N
XLogP4.47
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide (CID 87057580) is N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide is Cc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide?
The InChIKey is UVLFZOYBIPADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-16-12-19(10-11-24-16)26-22(30)17-6-5-9-21(13-17)29-15-20(14-25-29)28-23(31)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26,30)(H2,27,28,31).
What are the key properties of N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide?
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide is sourced from PubChem (CID 87057580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).