N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine

C22H26N4O — CID 46986491

IUPACN-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1ccnc(C(C)C)n1
InChIInChI=1S/C22H26N4O/c1-17(2)22-24-12-10-20(25-22)16-26(14-18-7-6-11-23-13-18)15-19-8-4-5-9-21(19)27-3/h4-13,17H,14-16H2,1-3H3
InChIKeyGKRGUXDOZBEFCH-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.21
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 46986491) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID46986491
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1ccnc(C(C)C)n1
InChIInChI=1S/C22H26N4O/c1-17(2)22-24-12-10-20(25-22)16-26(14-18-7-6-11-23-13-18)15-19-8-4-5-9-21(19)27-3/h4-13,17H,14-16H2,1-3H3
InChIKeyGKRGUXDOZBEFCH-UHFFFAOYSA-N
XLogP4.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]methanamine
CID 46999818
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 95046279
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 135207665
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 46986491) is N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine is COc1ccccc1CN(Cc1cccnc1)Cc1ccnc(C(C)C)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is GKRGUXDOZBEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17(2)22-24-12-10-20(25-22)16-26(14-18-7-6-11-23-13-18)15-19-8-4-5-9-21(19)27-3/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 362.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 46986491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).