N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine

C28H31N5O2 — CID 167465553

IUPACN-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(-n3cccn3)c2)c2ccnc(CN3CCOCC3)c2)c1
InChIInChI=1S/C28H31N5O2/c1-34-28-8-3-6-24(18-28)21-32(20-23-5-2-7-27(17-23)33-12-4-10-30-33)26-9-11-29-25(19-26)22-31-13-15-35-16-14-31/h2-12,17-19H,13-16,20-22H2,1H3
InChIKeyNTFRIEQYXSNTER-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.31
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine

N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine (PubChem CID 167465553) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
PubChem CID167465553
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
SMILESCOc1cccc(CN(Cc2cccc(-n3cccn3)c2)c2ccnc(CN3CCOCC3)c2)c1
InChIInChI=1S/C28H31N5O2/c1-34-28-8-3-6-24(18-28)21-32(20-23-5-2-7-27(17-23)33-12-4-10-30-33)26-9-11-29-25(19-26)22-31-13-15-35-16-14-31/h2-12,17-19H,13-16,20-22H2,1H3
InChIKeyNTFRIEQYXSNTER-UHFFFAOYSA-N
XLogP4.31
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
N-[(3-methoxyphenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-4-amine
CID 167465723
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
CID 167466286
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
CID 167465398
N-[(3-methoxyphenyl)methyl]-5-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 167465527
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
CID 167465454
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 167465198
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine (CID 167465553) is N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine is COc1cccc(CN(Cc2cccc(-n3cccn3)c2)c2ccnc(CN3CCOCC3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is NTFRIEQYXSNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-34-28-8-3-6-24(18-28)21-32(20-23-5-2-7-27(17-23)33-12-4-10-30-33)26-9-11-29-25(19-26)22-31-13-15-35-16-14-31/h2-12,17-19H,13-16,20-22H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine has a molecular weight of 469.59 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 167465553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).