(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide

C23H27N5O3 — CID 87074256

IUPAC(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide
SMILESC=C/C(=C\C=C\N(C)C)C(=O)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)NC)c2)c1C
InChIInChI=1S/C23H27N5O3/c1-6-16(9-8-12-28(4)5)21(29)26-19-11-7-10-18(15(19)2)17-13-20(22(30)25-14-17)27-23(31)24-3/h6-14H,1H2,2-5H3,(H,25,30)(H,26,29)(H2,24,27,31)/b12-8+,16-9+
InChIKeyOLTPZANZORDAMO-IGXSASHASA-N
MW421.50 g/mol
LogP3.23
Rot. Bonds7

About (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide

(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide (PubChem CID 87074256) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide
PubChem CID87074256
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide
SMILESC=C/C(=C\C=C\N(C)C)C(=O)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)NC)c2)c1C
InChIInChI=1S/C23H27N5O3/c1-6-16(9-8-12-28(4)5)21(29)26-19-11-7-10-18(15(19)2)17-13-20(22(30)25-14-17)27-23(31)24-3/h6-14H,1H2,2-5H3,(H,25,30)(H,26,29)(H2,24,27,31)/b12-8+,16-9+
InChIKeyOLTPZANZORDAMO-IGXSASHASA-N
XLogP3.23
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
CID 143795824
N-[2-methyl-3-[5-[[5-[2-(methylamino)ethylamino]-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 149041278
N-[2-methyl-3-[2-methyl-5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 25264316
1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
1-(8-chloro-4-oxo-1H-quinolin-3-yl)-3-methylurea
CID 6490425
4-[[5-[3-[[4-(dimethylamino)benzoyl]amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]-N-(2-methoxyethyl)-2-(prop-2-enoylamino)benzamide
CID 137475234
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
N-[2-methyl-3-[5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-1H-pyridin-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 59740580
5-[4-(methylamino)-2-pyridinyl]-3-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-pyridin-2-one
CID 118251053
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
(E)-4-[(3-iodo-2-methylphenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 114257591
6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide
CID 91450089

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide (CID 87074256) is (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide is C=C/C(=C\C=C\N(C)C)C(=O)Nc1cccc(-c2c[nH]c(=O)c(NC(=O)NC)c2)c1C.
What is the InChIKey of (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide?
The InChIKey is OLTPZANZORDAMO-IGXSASHASA-N. The full InChI is InChI=1S/C23H27N5O3/c1-6-16(9-8-12-28(4)5)21(29)26-19-11-7-10-18(15(19)2)17-13-20(22(30)25-14-17)27-23(31)24-3/h6-14H,1H2,2-5H3,(H,25,30)(H,26,29)(H2,24,27,31)/b12-8+,16-9+.
What are the key properties of (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide?
(2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide has a molecular weight of 421.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(dimethylamino)-2-ethenyl-N-[2-methyl-3-[5-(methylcarbamoylamino)-6-oxo-1H-pyridin-3-yl]phenyl]penta-2,4-dienamide is sourced from PubChem (CID 87074256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).