methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate

C18H18N6O3 — CID 55799910

IUPACmethyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C18H18N6O3/c1-27-18(26)23-15-7-5-14(6-8-15)22-17(25)20-12-13-4-2-9-19-16(13)24-11-3-10-21-24/h2-11H,12H2,1H3,(H,23,26)(H2,20,22,25)
InChIKeyWGSJILQVNBRTGT-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.77
Rot. Bonds5

About methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate

methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate (PubChem CID 55799910) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
PubChem CID55799910
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Namemethyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCc2cccnc2-n2cccn2)cc1
InChIInChI=1S/C18H18N6O3/c1-27-18(26)23-15-7-5-14(6-8-15)22-17(25)20-12-13-4-2-9-19-16(13)24-11-3-10-21-24/h2-11H,12H2,1H3,(H,23,26)(H2,20,22,25)
InChIKeyWGSJILQVNBRTGT-UHFFFAOYSA-N
XLogP2.77
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 154796474
N-[2-methyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745163
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55696239
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55663375
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55739333
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate (CID 55799910) is methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)NCc2cccnc2-n2cccn2)cc1.
What is the InChIKey of methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The InChIKey is WGSJILQVNBRTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-27-18(26)23-15-7-5-14(6-8-15)22-17(25)20-12-13-4-2-9-19-16(13)24-11-3-10-21-24/h2-11H,12H2,1H3,(H,23,26)(H2,20,22,25).
What are the key properties of methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate has a molecular weight of 366.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 55799910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).