N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

C19H17ClN4O3 — CID 52919035

IUPACN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H17ClN4O3/c1-11-8-24(10-21-11)16-5-4-14(23-19(16)26-2)18(25)22-15-9-27-17-6-3-12(20)7-13(15)17/h3-8,10,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyULWIDIKHUWVVDD-HNNXBMFYSA-N
MW384.82 g/mol
LogP3.10
Rot. Bonds4

About N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 52919035) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
PubChem CID52919035
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H17ClN4O3/c1-11-8-24(10-21-11)16-5-4-14(23-19(16)26-2)18(25)22-15-9-27-17-6-3-12(20)7-13(15)17/h3-8,10,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyULWIDIKHUWVVDD-HNNXBMFYSA-N
XLogP3.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 51346977
N-(5-chloro-2,3-dihydro-4-methyl-3-benzofuranyl)-6-methoxy-5-(4-methyl-1h-imidazol-1-yl)-2-pyridinecarboxamide
CID 52919802
N-[(3R)-5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 57404500
8-Chloro-1-(2-methoxyethyl)-4-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridyl]benzofuro[3,2-d]pyrimidin-2-one
CID 59535857
6-chloro-N-[[4-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 117859396
6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442375
(S)-6-chloro-N-(tetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763732
Azole, 17
CID 53348142
2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 45165633
N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 57404337
[4-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 69937706
6-chloro-N-((3S,4R)-4-fluorotetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763678

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (CID 52919035) is N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is COc1nc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The InChIKey is ULWIDIKHUWVVDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-8-24(10-21-11)16-5-4-14(23-19(16)26-2)18(25)22-15-9-27-17-6-3-12(20)7-13(15)17/h3-8,10,15H,9H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 52919035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).