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

C29H35N5O — CID 58170555

IUPACN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnc(CNCCN5CCOCC5)c4)cc3)c[nH]c2c1
InChIInChI=1S/C29H35N5O/c1-2-7-29-28(6-1)24(21-32-29)5-3-4-23-8-10-25(11-9-23)33-26-12-13-31-27(20-26)22-30-14-15-34-16-18-35-19-17-34/h1-2,6-13,20-21,30,32H,3-5,14-19,22H2,(H,31,33)
InChIKeyLMKTVTXWDVEXIA-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.90
Rot. Bonds11

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

N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine (PubChem CID 58170555) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
PubChem CID58170555
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC NameN-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine
SMILESc1ccc2c(CCCc3ccc(Nc4ccnc(CNCCN5CCOCC5)c4)cc3)c[nH]c2c1
InChIInChI=1S/C29H35N5O/c1-2-7-29-28(6-1)24(21-32-29)5-3-4-23-8-10-25(11-9-23)33-26-12-13-31-27(20-26)22-30-14-15-34-16-18-35-19-17-34/h1-2,6-13,20-21,30,32H,3-5,14-19,22H2,(H,31,33)
InChIKeyLMKTVTXWDVEXIA-UHFFFAOYSA-N
XLogP4.90
TPSA65.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(3-morpholin-4-ylpropylamino)methyl]pyridin-4-amine
CID 58170747
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
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
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
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216103

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine (CID 58170555) is N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine is c1ccc2c(CCCc3ccc(Nc4ccnc(CNCCN5CCOCC5)c4)cc3)c[nH]c2c1.
What is the InChIKey of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine?
The InChIKey is LMKTVTXWDVEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-2-7-29-28(6-1)24(21-32-29)5-3-4-23-8-10-25(11-9-23)33-26-12-13-31-27(20-26)22-30-14-15-34-16-18-35-19-17-34/h1-2,6-13,20-21,30,32H,3-5,14-19,22H2,(H,31,33).
What are the key properties of N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine?
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine has a molecular weight of 469.63 g/mol, XLogP of 4.90, 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-[(2-morpholin-4-ylethylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 58170555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).