N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide

C22H19N5O4 — CID 141456081

IUPACN-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(c4ccc([N+](=O)[O-])cc4)CC=NN3)cc2)ccn1
InChIInChI=1S/C22H19N5O4/c1-23-21(28)20-14-19(10-12-24-20)31-18-8-4-16(5-9-18)22(11-13-25-26-22)15-2-6-17(7-3-15)27(29)30/h2-10,12-14,26H,11H2,1H3,(H,23,28)
InChIKeyYFDNEHNFQMKHII-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.36
Rot. Bonds6

About N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide (PubChem CID 141456081) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide
PubChem CID141456081
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(C3(c4ccc([N+](=O)[O-])cc4)CC=NN3)cc2)ccn1
InChIInChI=1S/C22H19N5O4/c1-23-21(28)20-14-19(10-12-24-20)31-18-8-4-16(5-9-18)22(11-13-25-26-22)15-2-6-17(7-3-15)27(29)30/h2-10,12-14,26H,11H2,1H3,(H,23,28)
InChIKeyYFDNEHNFQMKHII-UHFFFAOYSA-N
XLogP3.36
TPSA118.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide
CID 141417740
N-methyl-4-[4-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]pyridine-2-carboxamide
CID 134154755
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-[1-[(3,5-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10004954

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide (CID 141456081) is N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(C3(c4ccc([N+](=O)[O-])cc4)CC=NN3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide?
The InChIKey is YFDNEHNFQMKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-23-21(28)20-14-19(10-12-24-20)31-18-8-4-16(5-9-18)22(11-13-25-26-22)15-2-6-17(7-3-15)27(29)30/h2-10,12-14,26H,11H2,1H3,(H,23,28).
What are the key properties of N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 141456081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).