N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine

C31H32N4 — CID 58170679

IUPACN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
SMILESc1ccc(CCNCc2cc(Nc3ccc(CCCc4c[nH]c5ccccc45)cc3)ccn2)cc1
InChIInChI=1S/C31H32N4/c1-2-7-24(8-3-1)17-19-32-23-29-21-28(18-20-33-29)35-27-15-13-25(14-16-27)9-6-10-26-22-34-31-12-5-4-11-30(26)31/h1-5,7-8,11-16,18,20-22,32,34H,6,9-10,17,19,23H2,(H,33,35)
InChIKeyOCTXYEWWGSISFJ-UHFFFAOYSA-N
MW460.63 g/mol
LogP6.81
Rot. Bonds11

About N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine (PubChem CID 58170679) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
PubChem CID58170679
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine
SMILESc1ccc(CCNCc2cc(Nc3ccc(CCCc4c[nH]c5ccccc45)cc3)ccn2)cc1
InChIInChI=1S/C31H32N4/c1-2-7-24(8-3-1)17-19-32-23-29-21-28(18-20-33-29)35-27-15-13-25(14-16-27)9-6-10-26-22-34-31-12-5-4-11-30(26)31/h1-5,7-8,11-16,18,20-22,32,34H,6,9-10,17,19,23H2,(H,33,35)
InChIKeyOCTXYEWWGSISFJ-UHFFFAOYSA-N
XLogP6.81
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
CID 58170555
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
CID 58170747
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-(2-methoxyethoxymethyl)pyridin-4-amine
CID 58170578
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine (CID 58170679) is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine is c1ccc(CCNCc2cc(Nc3ccc(CCCc4c[nH]c5ccccc45)cc3)ccn2)cc1.
What is the InChIKey of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine?
The InChIKey is OCTXYEWWGSISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1-2-7-24(8-3-1)17-19-32-23-29-21-28(18-20-33-29)35-27-15-13-25(14-16-27)9-6-10-26-22-34-31-12-5-4-11-30(26)31/h1-5,7-8,11-16,18,20-22,32,34H,6,9-10,17,19,23H2,(H,33,35).
What are the key properties of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine?
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine has a molecular weight of 460.63 g/mol, XLogP of 6.81, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-phenylethylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 58170679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).