N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

C22H26N6O — CID 146111830

IUPACN,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccc4cccnc34)C2)n1
InChIInChI=1S/C22H26N6O/c1-14-15(2)26-20(22(29)23-3)27-21(14)28-11-9-18(13-28)25-12-17-7-4-6-16-8-5-10-24-19(16)17/h4-8,10,18,25H,9,11-13H2,1-3H3,(H,23,29)/t18-/m1/s1
InChIKeyARGVFXFJHZZDNN-GOSISDBHSA-N
MW390.49 g/mol
LogP2.37
Rot. Bonds5

About N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146111830) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID146111830
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccc4cccnc34)C2)n1
InChIInChI=1S/C22H26N6O/c1-14-15(2)26-20(22(29)23-3)27-21(14)28-11-9-18(13-28)25-12-17-7-4-6-16-8-5-10-24-19(16)17/h4-8,10,18,25H,9,11-13H2,1-3H3,(H,23,29)/t18-/m1/s1
InChIKeyARGVFXFJHZZDNN-GOSISDBHSA-N
XLogP2.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide 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,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146111830) is N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cccc4cccnc34)C2)n1.
What is the InChIKey of N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is ARGVFXFJHZZDNN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-15(2)26-20(22(29)23-3)27-21(14)28-11-9-18(13-28)25-12-17-7-4-6-16-8-5-10-24-19(16)17/h4-8,10,18,25H,9,11-13H2,1-3H3,(H,23,29)/t18-/m1/s1.
What are the key properties of N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146111830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).