N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide

C23H27N3O2 — CID 137475859

IUPACN-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide
SMILESC=C/C=C(\C=C)Nc1cc(/C(C=C)=C(C)/C(=C\C=C)NC(C)=O)cn(C)c1=O
InChIInChI=1S/C23H27N3O2/c1-8-12-19(10-3)25-22-14-18(15-26(7)23(22)28)20(11-4)16(5)21(13-9-2)24-17(6)27/h8-15,25H,1-4H2,5-7H3,(H,24,27)/b19-12+,20-16+,21-13+
InChIKeyRWXFXVRLLILEOM-FRVBFDLJSA-N
MW377.49 g/mol
LogP4.22
Rot. Bonds9

About N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide

N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide (PubChem CID 137475859) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide
PubChem CID137475859
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide
SMILESC=C/C=C(\C=C)Nc1cc(/C(C=C)=C(C)/C(=C\C=C)NC(C)=O)cn(C)c1=O
InChIInChI=1S/C23H27N3O2/c1-8-12-19(10-3)25-22-14-18(15-26(7)23(22)28)20(11-4)16(5)21(13-9-2)24-17(6)27/h8-15,25H,1-4H2,5-7H3,(H,24,27)/b19-12+,20-16+,21-13+
InChIKeyRWXFXVRLLILEOM-FRVBFDLJSA-N
XLogP4.22
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide?
The IUPAC name of N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide (CID 137475859) is N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide is C=C/C=C(\C=C)Nc1cc(/C(C=C)=C(C)/C(=C\C=C)NC(C)=O)cn(C)c1=O.
What is the InChIKey of N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide?
The InChIKey is RWXFXVRLLILEOM-FRVBFDLJSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-8-12-19(10-3)25-22-14-18(15-26(7)23(22)28)20(11-4)16(5)21(13-9-2)24-17(6)27/h8-15,25H,1-4H2,5-7H3,(H,24,27)/b19-12+,20-16+,21-13+.
What are the key properties of N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide?
N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-[5-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-methylocta-1,3,5,7-tetraen-4-yl]acetamide is sourced from PubChem (CID 137475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).