4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide

C26H32N6O3 — CID 143795824

IUPAC4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1c[nH]c(=O)c(NC(=O)NCCN(C)C)c1
InChIInChI=1S/C26H32N6O3/c1-17-21(19-15-23(25(34)28-16-19)30-26(35)27-13-14-31(2)3)7-6-8-22(17)29-24(33)18-9-11-20(12-10-18)32(4)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,34)(H,29,33)(H2,27,30,35)
InChIKeyCGQDJEXAEGBKQB-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.35
Rot. Bonds8

About 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide

4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide (PubChem CID 143795824) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
PubChem CID143795824
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1c[nH]c(=O)c(NC(=O)NCCN(C)C)c1
InChIInChI=1S/C26H32N6O3/c1-17-21(19-15-23(25(34)28-16-19)30-26(35)27-13-14-31(2)3)7-6-8-22(17)29-24(33)18-9-11-20(12-10-18)32(4)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,34)(H,29,33)(H2,27,30,35)
InChIKeyCGQDJEXAEGBKQB-UHFFFAOYSA-N
XLogP3.35
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-iodo-2-methylphenyl)urea
CID 75519151
(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
4-[3-(dimethylamino)propylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692666
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
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
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[2-methyl-3-[8-[3-(methylamino)propylcarbamoylamino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide
CID 143819875

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide (CID 143795824) is 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide is Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1c[nH]c(=O)c(NC(=O)NCCN(C)C)c1.
What is the InChIKey of 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide?
The InChIKey is CGQDJEXAEGBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17-21(19-15-23(25(34)28-16-19)30-26(35)27-13-14-31(2)3)7-6-8-22(17)29-24(33)18-9-11-20(12-10-18)32(4)5/h6-12,15-16H,13-14H2,1-5H3,(H,28,34)(H,29,33)(H2,27,30,35).
What are the key properties of 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide?
4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 3.35, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 143795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).