N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide

C17H23N5O — CID 166602904

IUPACN-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2ncnc3c2ccn3C)C1
InChIInChI=1S/C17H23N5O/c1-20-9-7-14-15(20)18-11-19-16(14)22-8-3-4-13(10-22)21(2)17(23)12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyNVKMBZXNSPYZJA-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 166602904) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID166602904
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2ncnc3c2ccn3C)C1
InChIInChI=1S/C17H23N5O/c1-20-9-7-14-15(20)18-11-19-16(14)22-8-3-4-13(10-22)21(2)17(23)12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3
InChIKeyNVKMBZXNSPYZJA-UHFFFAOYSA-N
XLogP1.81
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 166602904) is N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(c2ncnc3c2ccn3C)C1.
What is the InChIKey of N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is NVKMBZXNSPYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-9-7-14-15(20)18-11-19-16(14)22-8-3-4-13(10-22)21(2)17(23)12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166602904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).