5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide

C19H22ClN5O4 — CID 47052940

IUPAC5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C19H22ClN5O4/c20-15-11-21-19(25-6-9-28-10-7-25)23-16(15)17(26)22-14-1-4-24(5-2-14)18(27)13-3-8-29-12-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,22,26)
InChIKeyQDIQMGMNXNLQOD-UHFFFAOYSA-N
MW419.87 g/mol
LogP1.59
Rot. Bonds4

About 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide

5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 47052940) has the molecular formula C19H22ClN5O4 and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID47052940
Molecular FormulaC19H22ClN5O4
Molecular Weight419.87 g/mol
Exact Mass419.14
IUPAC Name5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(N2CCOCC2)ncc1Cl
InChIInChI=1S/C19H22ClN5O4/c20-15-11-21-19(25-6-9-28-10-7-25)23-16(15)17(26)22-14-1-4-24(5-2-14)18(27)13-3-8-29-12-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,22,26)
InChIKeyQDIQMGMNXNLQOD-UHFFFAOYSA-N
XLogP1.59
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 38215093
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47045712
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55802714
5-chloro-2-morpholin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidine-4-carboxamide
CID 47047110

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 47052940) is 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(N2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is QDIQMGMNXNLQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O4/c20-15-11-21-19(25-6-9-28-10-7-25)23-16(15)17(26)22-14-1-4-24(5-2-14)18(27)13-3-8-29-12-13/h3,8,11-12,14H,1-2,4-7,9-10H2,(H,22,26).
What are the key properties of 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47052940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).