N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine

C29H32N4O — CID 167465398

IUPACN-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2ccc3cccnc3c2)c2ccnc(CN3CCCCC3)c2)c1
InChIInChI=1S/C29H32N4O/c1-34-28-9-5-7-23(17-28)20-33(21-24-10-11-25-8-6-13-31-29(25)18-24)27-12-14-30-26(19-27)22-32-15-3-2-4-16-32/h5-14,17-19H,2-4,15-16,20-22H2,1H3
InChIKeyRRPRURHRCICNJW-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.83
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine

N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine (PubChem CID 167465398) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
PubChem CID167465398
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
SMILESCOc1cccc(CN(Cc2ccc3cccnc3c2)c2ccnc(CN3CCCCC3)c2)c1
InChIInChI=1S/C29H32N4O/c1-34-28-9-5-7-23(17-28)20-33(21-24-10-11-25-8-6-13-31-29(25)18-24)27-12-14-30-26(19-27)22-32-15-3-2-4-16-32/h5-14,17-19H,2-4,15-16,20-22H2,1H3
InChIKeyRRPRURHRCICNJW-UHFFFAOYSA-N
XLogP5.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-amine
CID 167466286
N-[(3-methoxyphenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-4-amine
CID 167465723
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]-N-(quinolin-7-ylmethyl)aniline
CID 167466317
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
CID 167466230
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242
N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine
CID 167466011
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine (CID 167465398) is N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine is COc1cccc(CN(Cc2ccc3cccnc3c2)c2ccnc(CN3CCCCC3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine?
The InChIKey is RRPRURHRCICNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c1-34-28-9-5-7-23(17-28)20-33(21-24-10-11-25-8-6-13-31-29(25)18-24)27-12-14-30-26(19-27)22-32-15-3-2-4-16-32/h5-14,17-19H,2-4,15-16,20-22H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine?
N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine has a molecular weight of 452.60 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 167465398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).