N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide

C20H17N3O2 — CID 139188711

IUPACN-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1
InChIInChI=1S/C20H17N3O2/c1-21-20(24)19-14-18(10-13-23-19)25-17-6-4-15(5-7-17)2-3-16-8-11-22-12-9-16/h2-14H,1H3,(H,21,24)/b3-2+
InChIKeyQRNLZOSVHVWGRZ-NSCUHMNNSA-N
MW331.38 g/mol
LogP3.80
Rot. Bonds5

About N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide (PubChem CID 139188711) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide
PubChem CID139188711
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1
InChIInChI=1S/C20H17N3O2/c1-21-20(24)19-14-18(10-13-23-19)25-17-6-4-15(5-7-17)2-3-16-8-11-22-12-9-16/h2-14H,1H3,(H,21,24)/b3-2+
InChIKeyQRNLZOSVHVWGRZ-NSCUHMNNSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide (CID 139188711) is N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is QRNLZOSVHVWGRZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-21-20(24)19-14-18(10-13-23-19)25-17-6-4-15(5-7-17)2-3-16-8-11-22-12-9-16/h2-14H,1H3,(H,21,24)/b3-2+.
What are the key properties of N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 139188711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).