N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine

C24H22N4 — CID 130329770

IUPACN-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
SMILESc1cc(NCc2ccc(-c3ccc(CNc4ccncc4)cc3)cc2)ccn1
InChIInChI=1S/C24H22N4/c1-5-21(6-2-19(1)17-27-23-9-13-25-14-10-23)22-7-3-20(4-8-22)18-28-24-11-15-26-16-12-24/h1-16H,17-18H2,(H,25,27)(H,26,28)
InChIKeyIZMNESSVHJPKGQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.37
Rot. Bonds7

About N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine

N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine (PubChem CID 130329770) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
PubChem CID130329770
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC NameN-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
SMILESc1cc(NCc2ccc(-c3ccc(CNc4ccncc4)cc3)cc2)ccn1
InChIInChI=1S/C24H22N4/c1-5-21(6-2-19(1)17-27-23-9-13-25-14-10-23)22-7-3-20(4-8-22)18-28-24-11-15-26-16-12-24/h1-16H,17-18H2,(H,25,27)(H,26,28)
InChIKeyIZMNESSVHJPKGQ-UHFFFAOYSA-N
XLogP5.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
CID 28713238
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine?
The IUPAC name of N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine (CID 130329770) is N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine is c1cc(NCc2ccc(-c3ccc(CNc4ccncc4)cc3)cc2)ccn1.
What is the InChIKey of N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine?
The InChIKey is IZMNESSVHJPKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-5-21(6-2-19(1)17-27-23-9-13-25-14-10-23)22-7-3-20(4-8-22)18-28-24-11-15-26-16-12-24/h1-16H,17-18H2,(H,25,27)(H,26,28).
What are the key properties of N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine?
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 130329770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).