N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C19H21N5O3 — CID 122322541

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCN(C)c1ccnc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H21N5O3/c1-23(2)16-9-10-20-15(22-16)12-21-17(25)8-5-11-24-18(26)13-6-3-4-7-14(13)19(24)27/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,21,25)
InChIKeyCAILZLJWXQZEEF-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.24
Rot. Bonds7

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 122322541) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID122322541
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCN(C)c1ccnc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H21N5O3/c1-23(2)16-9-10-20-15(22-16)12-21-17(25)8-5-11-24-18(26)13-6-3-4-7-14(13)19(24)27/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,21,25)
InChIKeyCAILZLJWXQZEEF-UHFFFAOYSA-N
XLogP1.24
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 122322239
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578226
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 122322541) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is CN(C)c1ccnc(CNC(=O)CCCN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is CAILZLJWXQZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23(2)16-9-10-20-15(22-16)12-21-17(25)8-5-11-24-18(26)13-6-3-4-7-14(13)19(24)27/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 367.41 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 122322541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).