N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide

C23H19N5O4 — CID 141417740

IUPACN-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N3C=CC(c4ccc([N+](=O)[O-])cc4)=NC3)cc2)ccn1
InChIInChI=1S/C23H19N5O4/c1-24-23(29)22-14-20(10-12-25-22)32-19-8-6-17(7-9-19)27-13-11-21(26-15-27)16-2-4-18(5-3-16)28(30)31/h2-14H,15H2,1H3,(H,24,29)
InChIKeyPLASWWNDNDSGBV-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.92
Rot. Bonds6

About N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide (PubChem CID 141417740) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide
PubChem CID141417740
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N3C=CC(c4ccc([N+](=O)[O-])cc4)=NC3)cc2)ccn1
InChIInChI=1S/C23H19N5O4/c1-24-23(29)22-14-20(10-12-25-22)32-19-8-6-17(7-9-19)27-13-11-21(26-15-27)16-2-4-18(5-3-16)28(30)31/h2-14H,15H2,1H3,(H,24,29)
InChIKeyPLASWWNDNDSGBV-UHFFFAOYSA-N
XLogP3.92
TPSA109.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide
CID 141456081
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
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide (CID 141417740) is N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(N3C=CC(c4ccc([N+](=O)[O-])cc4)=NC3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide?
The InChIKey is PLASWWNDNDSGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-24-23(29)22-14-20(10-12-25-22)32-19-8-6-17(7-9-19)27-13-11-21(26-15-27)16-2-4-18(5-3-16)28(30)31/h2-14H,15H2,1H3,(H,24,29).
What are the key properties of N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[4-(4-nitrophenyl)-2H-pyrimidin-1-yl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 141417740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).