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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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).