7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide

C19H20N4O3 — CID 122317401

IUPAC7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nccc(N4CCCC4)n3)oc12
InChIInChI=1S/C19H20N4O3/c1-25-14-6-4-5-13-11-15(26-18(13)14)19(24)21-12-16-20-8-7-17(22-16)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,21,24)
InChIKeyDSCKBBZBHQYRDQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds5

About 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 122317401) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID122317401
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nccc(N4CCCC4)n3)oc12
InChIInChI=1S/C19H20N4O3/c1-25-14-6-4-5-13-11-15(26-18(13)14)19(24)21-12-16-20-8-7-17(22-16)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,21,24)
InChIKeyDSCKBBZBHQYRDQ-UHFFFAOYSA-N
XLogP2.76
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317533
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122317482
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
7-methoxy-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 90569424
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
3-(3-methoxyphenyl)-1-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122317516
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 122317401) is 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3nccc(N4CCCC4)n3)oc12.
What is the InChIKey of 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is DSCKBBZBHQYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-14-6-4-5-13-11-15(26-18(13)14)19(24)21-12-16-20-8-7-17(22-16)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,21,24).
What are the key properties of 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122317401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).