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

C30H37N5O — CID 58170747

IUPACN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnc(CNCCCN5CCOCC5)c4)cc3)c[nH]c2c1
InChIInChI=1S/C30H37N5O/c1-2-8-30-29(7-1)25(22-33-30)6-3-5-24-9-11-26(12-10-24)34-27-13-15-32-28(21-27)23-31-14-4-16-35-17-19-36-20-18-35/h1-2,7-13,15,21-22,31,33H,3-6,14,16-20,23H2,(H,32,34)
InChIKeyZSHBAZJGKWJTND-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.29
Rot. Bonds12

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

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine (PubChem CID 58170747) has the molecular formula C30H37N5O and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
PubChem CID58170747
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnc(CNCCCN5CCOCC5)c4)cc3)c[nH]c2c1
InChIInChI=1S/C30H37N5O/c1-2-8-30-29(7-1)25(22-33-30)6-3-5-24-9-11-26(12-10-24)34-27-13-15-32-28(21-27)23-31-14-4-16-35-17-19-36-20-18-35/h1-2,7-13,15,21-22,31,33H,3-6,14,16-20,23H2,(H,32,34)
InChIKeyZSHBAZJGKWJTND-UHFFFAOYSA-N
XLogP5.29
TPSA65.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine with MolForge

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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-[(2-phenylethylamino)methyl]pyridin-4-amine
CID 58170679
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
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
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine (CID 58170747) is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine is c1ccc2c(CCCc3ccc(Nc4ccnc(CNCCCN5CCOCC5)c4)cc3)c[nH]c2c1.
What is the InChIKey of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine?
The InChIKey is ZSHBAZJGKWJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-2-8-30-29(7-1)25(22-33-30)6-3-5-24-9-11-26(12-10-24)34-27-13-15-32-28(21-27)23-31-14-4-16-35-17-19-36-20-18-35/h1-2,7-13,15,21-22,31,33H,3-6,14,16-20,23H2,(H,32,34).
What are the key properties of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine?
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine has a molecular weight of 483.66 g/mol, XLogP of 5.29, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 58170747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).