N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C25H24N4O2 — CID 44580730

IUPACN-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2onc(C)c2c1
InChIInChI=1S/C25H24N4O2/c1-16-5-7-20(15-21(16)18-6-8-23-22(13-18)17(2)28-31-23)27-25(30)19-9-10-26-24(14-19)29-11-3-4-12-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,30)
InChIKeyWODRSNVHNZQNNW-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.36
Rot. Bonds4

About N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 44580730) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID44580730
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2onc(C)c2c1
InChIInChI=1S/C25H24N4O2/c1-16-5-7-20(15-21(16)18-6-8-23-22(13-18)17(2)28-31-23)27-25(30)19-9-10-26-24(14-19)29-11-3-4-12-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,30)
InChIKeyWODRSNVHNZQNNW-UHFFFAOYSA-N
XLogP5.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 44580730) is N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2onc(C)c2c1.
What is the InChIKey of N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is WODRSNVHNZQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-5-7-20(15-21(16)18-6-8-23-22(13-18)17(2)28-31-23)27-25(30)19-9-10-26-24(14-19)29-11-3-4-12-29/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,30).
What are the key properties of N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 44580730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).