6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide

C26H29N3O2 — CID 23090893

IUPAC6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C26H29N3O2/c1-31-24-11-8-22(9-12-24)25-13-10-23(18-28-25)26(30)27-15-14-20-4-6-21(7-5-20)19-29-16-2-3-17-29/h4-13,18H,2-3,14-17,19H2,1H3,(H,27,30)
InChIKeyDZLBDODZXKEASJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.33
Rot. Bonds8

About 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide

6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 23090893) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID23090893
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C26H29N3O2/c1-31-24-11-8-22(9-12-24)25-13-10-23(18-28-25)26(30)27-15-14-20-4-6-21(7-5-20)19-29-16-2-3-17-29/h4-13,18H,2-3,14-17,19H2,1H3,(H,27,30)
InChIKeyDZLBDODZXKEASJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide
CID 10274793
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 23090893) is 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is DZLBDODZXKEASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-24-11-8-22(9-12-24)25-13-10-23(18-28-25)26(30)27-15-14-20-4-6-21(7-5-20)19-29-16-2-3-17-29/h4-13,18H,2-3,14-17,19H2,1H3,(H,27,30).
What are the key properties of 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 23090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).