N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

C26H29N9O2 — CID 90369593

IUPACN-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)C1
InChIInChI=1S/C26H29N9O2/c1-18(36)31-23-5-7-35(17-23)25-19(13-27)12-20(14-30-25)24-4-6-28-26(33-24)32-21-2-3-22(29-15-21)16-34-8-10-37-11-9-34/h2-4,6,12,14-15,23H,5,7-11,16-17H2,1H3,(H,31,36)(H,28,32,33)
InChIKeyRLBUZTXYXGIIKV-UHFFFAOYSA-N
MW499.58 g/mol
LogP2.10
Rot. Bonds7

About N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 90369593) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID90369593
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC NameN-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)C1
InChIInChI=1S/C26H29N9O2/c1-18(36)31-23-5-7-35(17-23)25-19(13-27)12-20(14-30-25)24-4-6-28-26(33-24)32-21-2-3-22(29-15-21)16-34-8-10-37-11-9-34/h2-4,6,12,14-15,23H,5,7-11,16-17H2,1H3,(H,31,36)(H,28,32,33)
InChIKeyRLBUZTXYXGIIKV-UHFFFAOYSA-N
XLogP2.10
TPSA132.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-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-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 90369593) is N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ncc(-c3ccnc(Nc4ccc(CN5CCOCC5)nc4)n3)cc2C#N)C1.
What is the InChIKey of N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RLBUZTXYXGIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c1-18(36)31-23-5-7-35(17-23)25-19(13-27)12-20(14-30-25)24-4-6-28-26(33-24)32-21-2-3-22(29-15-21)16-34-8-10-37-11-9-34/h2-4,6,12,14-15,23H,5,7-11,16-17H2,1H3,(H,31,36)(H,28,32,33).
What are the key properties of N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 499.58 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 90369593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).