N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine

C27H36N4O3 — CID 143366761

IUPACN-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine
SMILESC=C/C=C(\C=C)CCNC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCC)c1=O.CN
InChIInChI=1S/C26H31N3O3.CH5N/c1-4-10-20(6-3)16-17-27-25(31)19-29-22(18-21-12-8-7-9-13-21)14-15-23(26(29)32)28-24(30)11-5-2;1-2/h4,6-10,12-15H,1,3,5,11,16-19H2,2H3,(H,27,31)(H,28,30);2H2,1H3/b20-10+;
InChIKeyUGPKDRXKCYEGNS-XZISABOOSA-N
MW464.61 g/mol
LogP3.56
Rot. Bonds12

About N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine

N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine (PubChem CID 143366761) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine.

Molecular Properties

Compound NameN-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine
PubChem CID143366761
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine
SMILESC=C/C=C(\C=C)CCNC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCC)c1=O.CN
InChIInChI=1S/C26H31N3O3.CH5N/c1-4-10-20(6-3)16-17-27-25(31)19-29-22(18-21-12-8-7-9-13-21)14-15-23(26(29)32)28-24(30)11-5-2;1-2/h4,6-10,12-15H,1,3,5,11,16-19H2,2H3,(H,27,31)(H,28,30);2H2,1H3/b20-10+;
InChIKeyUGPKDRXKCYEGNS-XZISABOOSA-N
XLogP3.56
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-(6-benzyl-1-ethyl-2-oxo-3-pyridinyl)acetamide
CID 21057251
N-[6-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050459
N-(6-benzyl-2-oxo-1-propan-2-yl-3-pyridinyl)-3-phenylpropanamide
CID 57296806
[6-benzyl-2-oxo-3-(4-phenylbutanoylamino)-1-pyridinyl] acetate
CID 18468976
N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050468
N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide
CID 165439706
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 87050500
N-[4,5,8-tris(butanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 91745988

Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine?
The IUPAC name of N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine (CID 143366761) is N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine.
What is the SMILES notation for N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine?
The canonical SMILES for N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine is C=C/C=C(\C=C)CCNC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCC)c1=O.CN.
What is the InChIKey of N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine?
The InChIKey is UGPKDRXKCYEGNS-XZISABOOSA-N. The full InChI is InChI=1S/C26H31N3O3.CH5N/c1-4-10-20(6-3)16-17-27-25(31)19-29-22(18-21-12-8-7-9-13-21)14-15-23(26(29)32)28-24(30)11-5-2;1-2/h4,6-10,12-15H,1,3,5,11,16-19H2,2H3,(H,27,31)(H,28,30);2H2,1H3/b20-10+;.
What are the key properties of N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine?
N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine has a molecular weight of 464.61 g/mol, XLogP of 3.56, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzyl-1-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide;methanamine is sourced from PubChem (CID 143366761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).