N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

C22H18FN3O3 — CID 39188207

IUPACN-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1F
InChIInChI=1S/C22H18FN3O3/c1-29-20-9-7-15(12-19(20)23)8-10-21(27)25-17-5-2-6-18(13-17)26-22(28)16-4-3-11-24-14-16/h2-14H,1H3,(H,25,27)(H,26,28)/b10-8+
InChIKeyNYJJMWZZQBTRDS-CSKARUKUSA-N
MW391.40 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39188207) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39188207
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1F
InChIInChI=1S/C22H18FN3O3/c1-29-20-9-7-15(12-19(20)23)8-10-21(27)25-17-5-2-6-18(13-17)26-22(28)16-4-3-11-24-14-16/h2-14H,1H3,(H,25,27)(H,26,28)/b10-8+
InChIKeyNYJJMWZZQBTRDS-CSKARUKUSA-N
XLogP4.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 18200446
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
N-[3-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-4-carboxamide
CID 39676845
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 26592309
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
CID 26641259
(E)-N-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9042657

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 39188207) is N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1F.
What is the InChIKey of N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is NYJJMWZZQBTRDS-CSKARUKUSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-29-20-9-7-15(12-19(20)23)8-10-21(27)25-17-5-2-6-18(13-17)26-22(28)16-4-3-11-24-14-16/h2-14H,1H3,(H,25,27)(H,26,28)/b10-8+.
What are the key properties of N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39188207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).