N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide

C22H24N6O3 — CID 11697447

IUPACN-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H24N6O3/c1-16-5-8-24-19(14-16)26-21(29)18-15-20(31-11-6-17-4-2-3-7-23-17)27-22(25-18)28-9-12-30-13-10-28/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,24,26,29)
InChIKeyAPGXTISLBJIZCJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.29
Rot. Bonds7

About N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 11697447) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
PubChem CID11697447
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H24N6O3/c1-16-5-8-24-19(14-16)26-21(29)18-15-20(31-11-6-17-4-2-3-7-23-17)27-22(25-18)28-9-12-30-13-10-28/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,24,26,29)
InChIKeyAPGXTISLBJIZCJ-UHFFFAOYSA-N
XLogP2.29
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide (CID 11697447) is N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide is Cc1ccnc(NC(=O)c2cc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is APGXTISLBJIZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-16-5-8-24-19(14-16)26-21(29)18-15-20(31-11-6-17-4-2-3-7-23-17)27-22(25-18)28-9-12-30-13-10-28/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,24,26,29).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 11697447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).