6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C22H21Cl2N5O3 — CID 71292498

IUPAC6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)nc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C22H21Cl2N5O3/c23-17-3-1-15(11-18(17)24)19-12-20(27-14-26-19)22(30)28-16-2-4-21(25-13-16)32-10-7-29-5-8-31-9-6-29/h1-4,11-14H,5-10H2,(H,28,30)
InChIKeyLORFWXXAHZBBRI-UHFFFAOYSA-N
MW474.35 g/mol
LogP3.81
Rot. Bonds7

About 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 71292498) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID71292498
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC Name6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)nc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C22H21Cl2N5O3/c23-17-3-1-15(11-18(17)24)19-12-20(27-14-26-19)22(30)28-16-2-4-21(25-13-16)32-10-7-29-5-8-31-9-6-29/h1-4,11-14H,5-10H2,(H,28,30)
InChIKeyLORFWXXAHZBBRI-UHFFFAOYSA-N
XLogP3.81
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 71292498) is 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(OCCN2CCOCC2)nc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is LORFWXXAHZBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c23-17-3-1-15(11-18(17)24)19-12-20(27-14-26-19)22(30)28-16-2-4-21(25-13-16)32-10-7-29-5-8-31-9-6-29/h1-4,11-14H,5-10H2,(H,28,30).
What are the key properties of 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71292498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).