4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine

C26H29N5O2 — CID 70791212

IUPAC4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine
SMILESCc1c(Nc2c(N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C26H29N5O2/c1-18-21-8-9-29-25(21)7-6-24(18)30-26-22(16-28-17-23(26)27)19-2-4-20(5-3-19)33-15-12-31-10-13-32-14-11-31/h2-9,16-17,29H,10-15,27H2,1H3,(H,28,30)
InChIKeyBHEUDIRKMKMSFZ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.58
Rot. Bonds7

About 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine

4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine (PubChem CID 70791212) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine
PubChem CID70791212
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine
SMILESCc1c(Nc2c(N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12
InChIInChI=1S/C26H29N5O2/c1-18-21-8-9-29-25(21)7-6-24(18)30-26-22(16-28-17-23(26)27)19-2-4-20(5-3-19)33-15-12-31-10-13-32-14-11-31/h2-9,16-17,29H,10-15,27H2,1H3,(H,28,30)
InChIKeyBHEUDIRKMKMSFZ-UHFFFAOYSA-N
XLogP4.58
TPSA88.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-(3-imidazol-1-ylpropylamino)ethoxy]phenyl]-4-N-(4-methyl-1H-indol-5-yl)pyridine-3,4-diamine
CID 70791203
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 141308215
4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile
CID 45487559
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[(4-methyl-1H-indol-5-yl)amino]-5-[2-[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]ethenyl]pyridine-3-carbonitrile
CID 154363341
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine
CID 67987182
5-methyl-6-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 67298576
4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69474227
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
5-[4-(4-methoxypiperidin-1-yl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
CID 91481088

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine (CID 70791212) is 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine is Cc1c(Nc2c(N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12.
What is the InChIKey of 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine?
The InChIKey is BHEUDIRKMKMSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-21-8-9-29-25(21)7-6-24(18)30-26-22(16-28-17-23(26)27)19-2-4-20(5-3-19)33-15-12-31-10-13-32-14-11-31/h2-9,16-17,29H,10-15,27H2,1H3,(H,28,30).
What are the key properties of 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine?
4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine has a molecular weight of 443.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine is sourced from PubChem (CID 70791212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).