N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide

C21H17ClN4O3 — CID 55729288

IUPACN-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc2nc(CNc3ccc(Cl)cc3NC(=O)c3ccco3)cc(=O)n2c1
InChIInChI=1S/C21H17ClN4O3/c1-13-4-7-19-24-15(10-20(27)26(19)12-13)11-23-16-6-5-14(22)9-17(16)25-21(28)18-3-2-8-29-18/h2-10,12,23H,11H2,1H3,(H,25,28)
InChIKeySXHBDYGCFBQRIP-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.11
Rot. Bonds5

About N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide (PubChem CID 55729288) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
PubChem CID55729288
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
SMILESCc1ccc2nc(CNc3ccc(Cl)cc3NC(=O)c3ccco3)cc(=O)n2c1
InChIInChI=1S/C21H17ClN4O3/c1-13-4-7-19-24-15(10-20(27)26(19)12-13)11-23-16-6-5-14(22)9-17(16)25-21(28)18-3-2-8-29-18/h2-10,12,23H,11H2,1H3,(H,25,28)
InChIKeySXHBDYGCFBQRIP-UHFFFAOYSA-N
XLogP4.11
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide (CID 55729288) is N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide is Cc1ccc2nc(CNc3ccc(Cl)cc3NC(=O)c3ccco3)cc(=O)n2c1.
What is the InChIKey of N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide?
The InChIKey is SXHBDYGCFBQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-13-4-7-19-24-15(10-20(27)26(19)12-13)11-23-16-6-5-14(22)9-17(16)25-21(28)18-3-2-8-29-18/h2-10,12,23H,11H2,1H3,(H,25,28).
What are the key properties of N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55729288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).