(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide

C16H16N4O2 — CID 38160719

IUPAC(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C16H16N4O2/c1-17-16(22)20-14-6-2-5-13(10-14)19-15(21)8-7-12-4-3-9-18-11-12/h2-11H,1H3,(H,19,21)(H2,17,20,22)/b8-7+
InChIKeyUIEQWMGBHQEHSZ-BQYQJAHWSA-N
MW296.33 g/mol
LogP2.48
Rot. Bonds4

About (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 38160719) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID38160719
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C16H16N4O2/c1-17-16(22)20-14-6-2-5-13(10-14)19-15(21)8-7-12-4-3-9-18-11-12/h2-11H,1H3,(H,19,21)(H2,17,20,22)/b8-7+
InChIKeyUIEQWMGBHQEHSZ-BQYQJAHWSA-N
XLogP2.48
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
(E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38041841
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide (CID 38160719) is (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide is CNC(=O)Nc1cccc(NC(=O)/C=C/c2cccnc2)c1.
What is the InChIKey of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is UIEQWMGBHQEHSZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-17-16(22)20-14-6-2-5-13(10-14)19-15(21)8-7-12-4-3-9-18-11-12/h2-11H,1H3,(H,19,21)(H2,17,20,22)/b8-7+.
What are the key properties of (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 38160719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).