2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide

C25H22N4O — CID 174579285

IUPAC2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide
SMILESCn1c(-c2ccnc(/C=C/c3ccccc3)c2)cc(-c2ccccc2C(N)=O)c1N
InChIInChI=1S/C25H22N4O/c1-29-23(16-22(24(29)26)20-9-5-6-10-21(20)25(27)30)18-13-14-28-19(15-18)12-11-17-7-3-2-4-8-17/h2-16H,26H2,1H3,(H2,27,30)/b12-11+
InChIKeySMPQNONSCRFGPD-VAWYXSNFSA-N
MW394.48 g/mol
LogP4.61
Rot. Bonds5

About 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide

2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide (PubChem CID 174579285) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide.

Molecular Properties

Compound Name2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide
PubChem CID174579285
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide
SMILESCn1c(-c2ccnc(/C=C/c3ccccc3)c2)cc(-c2ccccc2C(N)=O)c1N
InChIInChI=1S/C25H22N4O/c1-29-23(16-22(24(29)26)20-9-5-6-10-21(20)25(27)30)18-13-14-28-19(15-18)12-11-17-7-3-2-4-8-17/h2-16H,26H2,1H3,(H2,27,30)/b12-11+
InChIKeySMPQNONSCRFGPD-VAWYXSNFSA-N
XLogP4.61
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide?
The IUPAC name of 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide (CID 174579285) is 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide.
What is the SMILES notation for 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide?
The canonical SMILES for 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide is Cn1c(-c2ccnc(/C=C/c3ccccc3)c2)cc(-c2ccccc2C(N)=O)c1N.
What is the InChIKey of 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide?
The InChIKey is SMPQNONSCRFGPD-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H22N4O/c1-29-23(16-22(24(29)26)20-9-5-6-10-21(20)25(27)30)18-13-14-28-19(15-18)12-11-17-7-3-2-4-8-17/h2-16H,26H2,1H3,(H2,27,30)/b12-11+.
What are the key properties of 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide?
2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-methyl-5-[2-[(E)-2-phenylethenyl]-4-pyridinyl]pyrrol-3-yl]benzamide is sourced from PubChem (CID 174579285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).