(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone

C23H30N6O — CID 10549335

IUPAC(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C23H30N6O/c1-3-25-20-6-5-11-26-22(20)29(4-2)18-9-12-28(13-10-18)23(30)21-15-16-14-17(24)7-8-19(16)27-21/h5-8,11,14-15,18,25,27H,3-4,9-10,12-13,24H2,1-2H3
InChIKeyOFHMQSPZLSIGNC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.71
Rot. Bonds6

About (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone

(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 10549335) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID10549335
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C23H30N6O/c1-3-25-20-6-5-11-26-22(20)29(4-2)18-9-12-28(13-10-18)23(30)21-15-16-14-17(24)7-8-19(16)27-21/h5-8,11,14-15,18,25,27H,3-4,9-10,12-13,24H2,1-2H3
InChIKeyOFHMQSPZLSIGNC-UHFFFAOYSA-N
XLogP3.71
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
CID 10497248
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 95826190
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 63118310
[4-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone
CID 10670614
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 10549335) is (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone is CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is OFHMQSPZLSIGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-25-20-6-5-11-26-22(20)29(4-2)18-9-12-28(13-10-18)23(30)21-15-16-14-17(24)7-8-19(16)27-21/h5-8,11,14-15,18,25,27H,3-4,9-10,12-13,24H2,1-2H3.
What are the key properties of (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone?
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 10549335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).