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

C27H27N5O2 — CID 10479082

IUPACN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1
InChIInChI=1S/C27H27N5O2/c1-17-6-8-22(29-26(33)20-10-11-28-25(15-20)32-12-4-5-13-32)16-24(17)23-9-7-21(14-18(23)2)27-31-30-19(3)34-27/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,33)
InChIKeyOBHNTFJGFUEQCQ-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.58
Rot. Bonds5

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

N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 10479082) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID10479082
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1
InChIInChI=1S/C27H27N5O2/c1-17-6-8-22(29-26(33)20-10-11-28-25(15-20)32-12-4-5-13-32)16-24(17)23-9-7-21(14-18(23)2)27-31-30-19(3)34-27/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,33)
InChIKeyOBHNTFJGFUEQCQ-UHFFFAOYSA-N
XLogP5.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 10479082) is N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1.
What is the InChIKey of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is OBHNTFJGFUEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-17-6-8-22(29-26(33)20-10-11-28-25(15-20)32-12-4-5-13-32)16-24(17)23-9-7-21(14-18(23)2)27-31-30-19(3)34-27/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,33).
What are the key properties of N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 10479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).