N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

C20H24N4O — CID 166207086

IUPACN-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCn2ccc3ccccc32)c(C(C)C)n1
InChIInChI=1S/C20H24N4O/c1-14(2)19-17(13-22-15(3)23-19)20(25)21-10-6-11-24-12-9-16-7-4-5-8-18(16)24/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,21,25)
InChIKeyVZMWJNVLTZYPTC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.68
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide

N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 166207086) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID166207086
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCCn2ccc3ccccc32)c(C(C)C)n1
InChIInChI=1S/C20H24N4O/c1-14(2)19-17(13-22-15(3)23-19)20(25)21-10-6-11-24-12-9-16-7-4-5-8-18(16)24/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,21,25)
InChIKeyVZMWJNVLTZYPTC-UHFFFAOYSA-N
XLogP3.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641440
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
CID 91951649
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
CID 55581931
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide
CID 25336848

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide (CID 166207086) is N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCCn2ccc3ccccc32)c(C(C)C)n1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is VZMWJNVLTZYPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14(2)19-17(13-22-15(3)23-19)20(25)21-10-6-11-24-12-9-16-7-4-5-8-18(16)24/h4-5,7-9,12-14H,6,10-11H2,1-3H3,(H,21,25).
What are the key properties of N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide?
N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 166207086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).