N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

C22H26N6O3 — CID 91952538

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cnc(N2CCOCC2)nc1-c1ccncc1)c1ccco1
InChIInChI=1S/C22H26N6O3/c1-27(2)18(19-4-3-11-31-19)15-24-21(29)17-14-25-22(28-9-12-30-13-10-28)26-20(17)16-5-7-23-8-6-16/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,24,29)
InChIKeyGOYKSSFIIFJPTQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 91952538) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID91952538
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cnc(N2CCOCC2)nc1-c1ccncc1)c1ccco1
InChIInChI=1S/C22H26N6O3/c1-27(2)18(19-4-3-11-31-19)15-24-21(29)17-14-25-22(28-9-12-30-13-10-28)26-20(17)16-5-7-23-8-6-16/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,24,29)
InChIKeyGOYKSSFIIFJPTQ-UHFFFAOYSA-N
XLogP2.00
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94177772
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
CID 91952635
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952530
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952505
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51075225
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 11518860
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55510466
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 91952538) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is CN(C)C(CNC(=O)c1cnc(N2CCOCC2)nc1-c1ccncc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GOYKSSFIIFJPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-27(2)18(19-4-3-11-31-19)15-24-21(29)17-14-25-22(28-9-12-30-13-10-28)26-20(17)16-5-7-23-8-6-16/h3-8,11,14,18H,9-10,12-13,15H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).