N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide

C19H20N6O3 — CID 154796474

IUPACN-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCc2cccnc2-n2cccn2)ccc1NC(C)=O
InChIInChI=1S/C19H20N6O3/c1-13(26)23-16-7-6-15(11-17(16)28-2)24-19(27)21-12-14-5-3-8-20-18(14)25-10-4-9-22-25/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyDZNQBOJJQWAONW-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.56
Rot. Bonds6

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

N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 154796474) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID154796474
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)NCc2cccnc2-n2cccn2)ccc1NC(C)=O
InChIInChI=1S/C19H20N6O3/c1-13(26)23-16-7-6-15(11-17(16)28-2)24-19(27)21-12-14-5-3-8-20-18(14)25-10-4-9-22-25/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyDZNQBOJJQWAONW-UHFFFAOYSA-N
XLogP2.56
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745163
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55696239
1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835925
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
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
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
methyl 3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040063
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55739333
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide (CID 154796474) is N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide is COc1cc(NC(=O)NCc2cccnc2-n2cccn2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is DZNQBOJJQWAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-13(26)23-16-7-6-15(11-17(16)28-2)24-19(27)21-12-14-5-3-8-20-18(14)25-10-4-9-22-25/h3-11H,12H2,1-2H3,(H,23,26)(H2,21,24,27).
What are the key properties of N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide?
N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 154796474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).