N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide

C19H24N4O3 — CID 122356456

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1OC
InChIInChI=1S/C19H24N4O3/c1-12-17(13(2)21-19(20-12)23-9-5-6-10-23)22-18(24)14-7-8-15(25-3)16(11-14)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyMFDDZDDKBAPIFU-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.96
Rot. Bonds5

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide (PubChem CID 122356456) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
PubChem CID122356456
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1OC
InChIInChI=1S/C19H24N4O3/c1-12-17(13(2)21-19(20-12)23-9-5-6-10-23)22-18(24)14-7-8-15(25-3)16(11-14)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,22,24)
InChIKeyMFDDZDDKBAPIFU-UHFFFAOYSA-N
XLogP2.96
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047832
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-6-ethoxypyridine-3-carboxamide
CID 122356686
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
CID 71807357
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
6-cyclopentyloxy-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122356691
3,4-dimethoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748387
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
3,4-dimethoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478293

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide (CID 122356456) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1OC.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide?
The InChIKey is MFDDZDDKBAPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-17(13(2)21-19(20-12)23-9-5-6-10-23)22-18(24)14-7-8-15(25-3)16(11-14)26-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide has a molecular weight of 356.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 122356456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).