N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide

C14H20N6O — CID 136522623

IUPACN-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H20N6O/c1-15-12(21)8-20-6-3-10(4-7-20)19-14-11-2-5-16-13(11)17-9-18-14/h2,5,9-10H,3-4,6-8H2,1H3,(H,15,21)(H2,16,17,18,19)
InChIKeyXVFVCDLBBDZHLU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide

N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide (PubChem CID 136522623) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
PubChem CID136522623
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H20N6O/c1-15-12(21)8-20-6-3-10(4-7-20)19-14-11-2-5-16-13(11)17-9-18-14/h2,5,9-10H,3-4,6-8H2,1H3,(H,15,21)(H2,16,17,18,19)
InChIKeyXVFVCDLBBDZHLU-UHFFFAOYSA-N
XLogP0.58
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide 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-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide (CID 136522623) is N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide is CNC(=O)CN1CCC(Nc2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The InChIKey is XVFVCDLBBDZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-15-12(21)8-20-6-3-10(4-7-20)19-14-11-2-5-16-13(11)17-9-18-14/h2,5,9-10H,3-4,6-8H2,1H3,(H,15,21)(H2,16,17,18,19).
What are the key properties of N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 136522623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).