3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine

C19H22N6 — CID 142263038

IUPAC3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine
SMILESC=Nc1c(-c2cc3cc(CN4CCCC4)ccc3[nH]2)cc(N)nc1N
InChIInChI=1S/C19H22N6/c1-22-18-14(10-17(20)24-19(18)21)16-9-13-8-12(4-5-15(13)23-16)11-25-6-2-3-7-25/h4-5,8-10,23H,1-3,6-7,11H2,(H4,20,21,24)
InChIKeyQLIXNHFCTOEPDP-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.32
Rot. Bonds4

About 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine

3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine (PubChem CID 142263038) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine
PubChem CID142263038
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine
SMILESC=Nc1c(-c2cc3cc(CN4CCCC4)ccc3[nH]2)cc(N)nc1N
InChIInChI=1S/C19H22N6/c1-22-18-14(10-17(20)24-19(18)21)16-9-13-8-12(4-5-15(13)23-16)11-25-6-2-3-7-25/h4-5,8-10,23H,1-3,6-7,11H2,(H4,20,21,24)
InChIKeyQLIXNHFCTOEPDP-UHFFFAOYSA-N
XLogP3.32
TPSA96.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-3-ol
CID 59640241
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-4-one
CID 59640283
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
CID 69293865
4-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1H-indol-2-yl]-3-(ethylideneamino)-2-N-methylpyridine-2,6-diamine
CID 142263008
6-(2-methyltetrazol-5-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 135908184
5-[(dimethylamino)methyl]-4-hydroxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68825189
4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 174551690
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
ethane;2-methyl-7-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142263154
2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
CID 84681236

Frequently Asked Questions

What is the IUPAC name of 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine?
The IUPAC name of 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine (CID 142263038) is 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine is C=Nc1c(-c2cc3cc(CN4CCCC4)ccc3[nH]2)cc(N)nc1N.
What is the InChIKey of 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine?
The InChIKey is QLIXNHFCTOEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-22-18-14(10-17(20)24-19(18)21)16-9-13-8-12(4-5-15(13)23-16)11-25-6-2-3-7-25/h4-5,8-10,23H,1-3,6-7,11H2,(H4,20,21,24).
What are the key properties of 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine?
3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylideneamino)-4-[5-(pyrrolidin-1-ylmethyl)-1H-indol-2-yl]pyridine-2,6-diamine is sourced from PubChem (CID 142263038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).