N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide

C21H26N6O3 — CID 95816321

IUPACN-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C21H26N6O3/c28-19(16-4-3-6-22-14-16)23-7-5-18-17(20(29)26-8-1-2-9-26)15-24-21(25-18)27-10-12-30-13-11-27/h3-4,6,14-15H,1-2,5,7-13H2,(H,23,28)
InChIKeyRKVUIBXGOGMYJO-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.92
Rot. Bonds6

About N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide

N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 95816321) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID95816321
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1)c1cccnc1
InChIInChI=1S/C21H26N6O3/c28-19(16-4-3-6-22-14-16)23-7-5-18-17(20(29)26-8-1-2-9-26)15-24-21(25-18)27-10-12-30-13-11-27/h3-4,6,14-15H,1-2,5,7-13H2,(H,23,28)
InChIKeyRKVUIBXGOGMYJO-UHFFFAOYSA-N
XLogP0.92
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
CID 92618749
2-(4-methylpiperidin-1-yl)-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
CID 92619497
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
4-acetamido-N-[2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]ethyl]benzamide
CID 92618522
(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 92588461
2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
CID 92619551
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
N-[3-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 124977974
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055570

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide (CID 95816321) is N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide is O=C(NCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1)c1cccnc1.
What is the InChIKey of N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is RKVUIBXGOGMYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c28-19(16-4-3-6-22-14-16)23-7-5-18-17(20(29)26-8-1-2-9-26)15-24-21(25-18)27-10-12-30-13-11-27/h3-4,6,14-15H,1-2,5,7-13H2,(H,23,28).
What are the key properties of N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide?
N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 95816321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).