N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C21H22N6O2 — CID 22594084

IUPACN-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccncn1
InChIInChI=1S/C21H22N6O2/c1-15-2-3-17(13-18(15)26-19-5-6-22-14-24-19)25-21(28)16-4-7-23-20(12-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H,22,24,26)
InChIKeyHYHGDSQCGOEYPB-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.01
Rot. Bonds5

About N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 22594084) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID22594084
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccncn1
InChIInChI=1S/C21H22N6O2/c1-15-2-3-17(13-18(15)26-19-5-6-22-14-24-19)25-21(28)16-4-7-23-20(12-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H,22,24,26)
InChIKeyHYHGDSQCGOEYPB-UHFFFAOYSA-N
XLogP3.01
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 22594084) is N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccncn1.
What is the InChIKey of N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is HYHGDSQCGOEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-15-2-3-17(13-18(15)26-19-5-6-22-14-24-19)25-21(28)16-4-7-23-20(12-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,28)(H,22,24,26).
What are the key properties of N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(pyrimidin-4-ylamino)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 22594084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).