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

C30H37N5O — CID 58170627

IUPACN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
SMILESCC(NCCN1CCOCC1)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C30H37N5O/c1-23(31-15-16-35-17-19-36-20-18-35)30-21-27(13-14-32-30)34-26-11-9-24(10-12-26)5-4-6-25-22-33-29-8-3-2-7-28(25)29/h2-3,7-14,21-23,31,33H,4-6,15-20H2,1H3,(H,32,34)
InChIKeyADDCCWZUHFSNPD-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.46
Rot. Bonds11

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

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine (PubChem CID 58170627) 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-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
PubChem CID58170627
Molecular FormulaC30H37N5O
Molecular Weight483.66 g/mol
Exact Mass483.30
IUPAC NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
SMILESCC(NCCN1CCOCC1)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C30H37N5O/c1-23(31-15-16-35-17-19-36-20-18-35)30-21-27(13-14-32-30)34-26-11-9-24(10-12-26)5-4-6-25-22-33-29-8-3-2-7-28(25)29/h2-3,7-14,21-23,31,33H,4-6,15-20H2,1H3,(H,32,34)
InChIKeyADDCCWZUHFSNPD-UHFFFAOYSA-N
XLogP5.46
TPSA65.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]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
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
CID 58170747
2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
CID 59555727
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
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-(2-methoxyethoxymethyl)pyridin-4-amine
CID 58170578
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 58170570

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine?
The IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine (CID 58170627) is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine?
The canonical SMILES for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine is CC(NCCN1CCOCC1)c1cc(Nc2ccc(CCCc3c[nH]c4ccccc34)cc2)ccn1.
What is the InChIKey of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine?
The InChIKey is ADDCCWZUHFSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-23(31-15-16-35-17-19-36-20-18-35)30-21-27(13-14-32-30)34-26-11-9-24(10-12-26)5-4-6-25-22-33-29-8-3-2-7-28(25)29/h2-3,7-14,21-23,31,33H,4-6,15-20H2,1H3,(H,32,34).
What are the key properties of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine?
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine has a molecular weight of 483.66 g/mol, XLogP of 5.46, 11 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-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 58170627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).