4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C19H17N3O3 — CID 1485186

IUPAC4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C19H17N3O3/c1-25-16-6-2-5-14(8-16)18(23)15-9-17(21-12-15)19(24)22-11-13-4-3-7-20-10-13/h2-10,12,21H,11H2,1H3,(H,22,24)
InChIKeyYVIVQKLHOKIPGJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.58
Rot. Bonds6

About 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1485186) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1485186
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C19H17N3O3/c1-25-16-6-2-5-14(8-16)18(23)15-9-17(21-12-15)19(24)22-11-13-4-3-7-20-10-13/h2-10,12,21H,11H2,1H3,(H,22,24)
InChIKeyYVIVQKLHOKIPGJ-UHFFFAOYSA-N
XLogP2.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1485186) is 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)c1.
What is the InChIKey of 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is YVIVQKLHOKIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-16-6-2-5-14(8-16)18(23)15-9-17(21-12-15)19(24)22-11-13-4-3-7-20-10-13/h2-10,12,21H,11H2,1H3,(H,22,24).
What are the key properties of 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1485186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).