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

C28H27N3O2 — CID 10274793

IUPAC6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)ccc4c3)cn2)cc1
InChIInChI=1S/C28H27N3O2/c1-33-26-11-7-21(8-12-26)27-13-9-24(18-29-27)28(32)30-25-10-6-22-16-20(4-5-23(22)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)
InChIKeyMVZCBFZQYJPMQI-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.76
Rot. Bonds6

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

6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 10274793) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide
PubChem CID10274793
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)ccc4c3)cn2)cc1
InChIInChI=1S/C28H27N3O2/c1-33-26-11-7-21(8-12-26)27-13-9-24(18-29-27)28(32)30-25-10-6-22-16-20(4-5-23(22)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)
InChIKeyMVZCBFZQYJPMQI-UHFFFAOYSA-N
XLogP5.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 22340506
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
4-(4-fluorophenyl)-N-[8-methoxy-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436095
4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 16599312
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide (CID 10274793) is 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(CN5CCCC5)ccc4c3)cn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is MVZCBFZQYJPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-33-26-11-7-21(8-12-26)27-13-9-24(18-29-27)28(32)30-25-10-6-22-16-20(4-5-23(22)17-25)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32).
What are the key properties of 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide?
6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10274793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).