N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide

C20H27N3O3 — CID 118420021

IUPACN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide
SMILESCOc1cc(-c2ccnc(NC(C)=O)c2)ccc1OC[C@@H](N)CC(C)C
InChIInChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1
InChIKeyDKKCUFUUVDZUCP-KRWDZBQOSA-N
MW357.45 g/mol
LogP3.47
Rot. Bonds8

About N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide

N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide (PubChem CID 118420021) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide
PubChem CID118420021
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide
SMILESCOc1cc(-c2ccnc(NC(C)=O)c2)ccc1OC[C@@H](N)CC(C)C
InChIInChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1
InChIKeyDKKCUFUUVDZUCP-KRWDZBQOSA-N
XLogP3.47
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide (CID 118420021) is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide is COc1cc(-c2ccnc(NC(C)=O)c2)ccc1OC[C@@H](N)CC(C)C.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide?
The InChIKey is DKKCUFUUVDZUCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methoxyphenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).