4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine

C28H37N3O2 — CID 175904266

IUPAC4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine
SMILESCCCC(CCC)Nc1ccnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C28H37N3O2/c1-5-7-24(8-6-2)30-25-17-18-29-28(19-25)31(20-22-9-13-26(32-3)14-10-22)21-23-11-15-27(33-4)16-12-23/h9-19,24H,5-8,20-21H2,1-4H3,(H,29,30)
InChIKeyFULOAEPKWDNMTQ-UHFFFAOYSA-N
MW447.62 g/mol
LogP6.69
Rot. Bonds13

About 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine

4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine (PubChem CID 175904266) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine
PubChem CID175904266
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine
SMILESCCCC(CCC)Nc1ccnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C28H37N3O2/c1-5-7-24(8-6-2)30-25-17-18-29-28(19-25)31(20-22-9-13-26(32-3)14-10-22)21-23-11-15-27(33-4)16-12-23/h9-19,24H,5-8,20-21H2,1-4H3,(H,29,30)
InChIKeyFULOAEPKWDNMTQ-UHFFFAOYSA-N
XLogP6.69
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
CID 158218953
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
5-methoxy-N-octan-4-ylpyridin-2-amine
CID 114138454
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
2-[bis[(4-methoxyphenyl)methyl]amino]-4-(1-hydroxyhexan-3-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 168916884
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489

Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine (CID 175904266) is 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine is CCCC(CCC)Nc1ccnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1.
What is the InChIKey of 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine?
The InChIKey is FULOAEPKWDNMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-5-7-24(8-6-2)30-25-17-18-29-28(19-25)31(20-22-9-13-26(32-3)14-10-22)21-23-11-15-27(33-4)16-12-23/h9-19,24H,5-8,20-21H2,1-4H3,(H,29,30).
What are the key properties of 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine?
4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine has a molecular weight of 447.62 g/mol, XLogP of 6.69, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-4-yl-2-N,2-N-bis[(4-methoxyphenyl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 175904266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).