N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide

C22H26N6O2 — CID 55746890

IUPACN-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C22H26N6O2/c1-16(2)27(3)21(29)19-7-5-17(6-8-19)14-24-22(30)25-15-18-9-11-23-20(13-18)28-12-4-10-26-28/h4-13,16H,14-15H2,1-3H3,(H2,24,25,30)
InChIKeyCVWYWCIRFFHXFQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.75
Rot. Bonds7

About N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide

N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide (PubChem CID 55746890) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
PubChem CID55746890
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C22H26N6O2/c1-16(2)27(3)21(29)19-7-5-17(6-8-19)14-24-22(30)25-15-18-9-11-23-20(13-18)28-12-4-10-26-28/h4-13,16H,14-15H2,1-3H3,(H2,24,25,30)
InChIKeyCVWYWCIRFFHXFQ-UHFFFAOYSA-N
XLogP2.75
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide with MolForge

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Related Compounds

1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86995949
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651507
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
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4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 46400175
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4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113
1-(4-bromo-3-methylphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide?
The IUPAC name of N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide (CID 55746890) is N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide?
The canonical SMILES for N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)NCc2ccnc(-n3cccn3)c2)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide?
The InChIKey is CVWYWCIRFFHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16(2)27(3)21(29)19-7-5-17(6-8-19)14-24-22(30)25-15-18-9-11-23-20(13-18)28-12-4-10-26-28/h4-13,16H,14-15H2,1-3H3,(H2,24,25,30).
What are the key properties of N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide?
N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide is sourced from PubChem (CID 55746890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).