N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

C21H25N5O — CID 50829660

IUPACN,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(N2CCCCC2)c2c(C)c(C)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H25N5O/c1-14-15(2)26(16-10-6-4-7-11-16)20-17(14)19(25-12-8-5-9-13-25)23-18(24-20)21(27)22-3/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,22,27)
InChIKeyMBNFLWJWYNGWGL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.39
Rot. Bonds3

About N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide (PubChem CID 50829660) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
PubChem CID50829660
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(N2CCCCC2)c2c(C)c(C)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H25N5O/c1-14-15(2)26(16-10-6-4-7-11-16)20-17(14)19(25-12-8-5-9-13-25)23-18(24-20)21(27)22-3/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,22,27)
InChIKeyMBNFLWJWYNGWGL-UHFFFAOYSA-N
XLogP3.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide (CID 50829660) is N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide is CNC(=O)c1nc(N2CCCCC2)c2c(C)c(C)n(-c3ccccc3)c2n1.
What is the InChIKey of N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is MBNFLWJWYNGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-15(2)26(16-10-6-4-7-11-16)20-17(14)19(25-12-8-5-9-13-25)23-18(24-20)21(27)22-3/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,22,27).
What are the key properties of N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide?
N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 50829660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).