N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide

C25H29ClN4O4 — CID 10311081

IUPACN-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(NC(=O)CC3CCN(C(C)C)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1
InChIInChI=1S/C25H29ClN4O4/c1-15(2)30-10-8-16(9-11-30)12-22(31)29-23-19-6-5-18(33-3)13-20(19)34-24(23)25(32)28-21-7-4-17(26)14-27-21/h4-7,13-16H,8-12H2,1-3H3,(H,29,31)(H,27,28,32)
InChIKeyURTRZOCKMOSXHO-UHFFFAOYSA-N
MW484.98 g/mol
LogP5.19
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide

N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 10311081) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID10311081
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC NameN-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(NC(=O)CC3CCN(C(C)C)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1
InChIInChI=1S/C25H29ClN4O4/c1-15(2)30-10-8-16(9-11-30)12-22(31)29-23-19-6-5-18(33-3)13-20(19)34-24(23)25(32)28-21-7-4-17(26)14-27-21/h4-7,13-16H,8-12H2,1-3H3,(H,29,31)(H,27,28,32)
InChIKeyURTRZOCKMOSXHO-UHFFFAOYSA-N
XLogP5.19
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 55.19
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-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 10311081) is N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc2c(NC(=O)CC3CCN(C(C)C)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is URTRZOCKMOSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-15(2)30-10-8-16(9-11-30)12-22(31)29-23-19-6-5-18(33-3)13-20(19)34-24(23)25(32)28-21-7-4-17(26)14-27-21/h4-7,13-16H,8-12H2,1-3H3,(H,29,31)(H,27,28,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 484.98 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-methoxy-3-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10311081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).