4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C30H37N3O3 — CID 20692776

IUPAC4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCC2)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1
InChIInChI=1S/C30H37N3O3/c1-22-20-26(30(35)32-16-19-33-17-3-4-18-33)10-13-28(22)25-8-11-27(12-9-25)36-23(2)29(34)14-7-24-6-5-15-31-21-24/h5-6,8-13,15,20-21,23,29,34H,3-4,7,14,16-19H2,1-2H3,(H,32,35)
InChIKeyNNWBSMDVGAUPCT-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.64
Rot. Bonds11

About 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 20692776) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID20692776
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCC2)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1
InChIInChI=1S/C30H37N3O3/c1-22-20-26(30(35)32-16-19-33-17-3-4-18-33)10-13-28(22)25-8-11-27(12-9-25)36-23(2)29(34)14-7-24-6-5-15-31-21-24/h5-6,8-13,15,20-21,23,29,34H,3-4,7,14,16-19H2,1-2H3,(H,32,35)
InChIKeyNNWBSMDVGAUPCT-UHFFFAOYSA-N
XLogP4.64
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
5-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 59970474
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
4-(3-methoxy-4-pyridinyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 163310129
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
CID 174405331
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11361652
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 20692776) is 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cc(C(=O)NCCN2CCCC2)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1.
What is the InChIKey of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is NNWBSMDVGAUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-22-20-26(30(35)32-16-19-33-17-3-4-18-33)10-13-28(22)25-8-11-27(12-9-25)36-23(2)29(34)14-7-24-6-5-15-31-21-24/h5-6,8-13,15,20-21,23,29,34H,3-4,7,14,16-19H2,1-2H3,(H,32,35).
What are the key properties of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 487.64 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 20692776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).