N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide

C25H34N6O2 — CID 167160693

IUPACN-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESNc1ccc(CCN(CCO)CCN2CCC(CNC(=O)c3cc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C25H34N6O2/c26-24-6-5-19(16-27-24)7-9-30(13-14-32)11-12-31-10-8-20(18-31)17-28-25(33)23-15-21-3-1-2-4-22(21)29-23/h1-6,15-16,20,29,32H,7-14,17-18H2,(H2,26,27)(H,28,33)
InChIKeyVMUOXRNQIGOWGD-UHFFFAOYSA-N
MW450.59 g/mol
LogP1.73
Rot. Bonds11

About N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide

N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 167160693) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID167160693
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESNc1ccc(CCN(CCO)CCN2CCC(CNC(=O)c3cc4ccccc4[nH]3)C2)cn1
InChIInChI=1S/C25H34N6O2/c26-24-6-5-19(16-27-24)7-9-30(13-14-32)11-12-31-10-8-20(18-31)17-28-25(33)23-15-21-3-1-2-4-22(21)29-23/h1-6,15-16,20,29,32H,7-14,17-18H2,(H2,26,27)(H,28,33)
InChIKeyVMUOXRNQIGOWGD-UHFFFAOYSA-N
XLogP1.73
TPSA110.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230990
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
CID 25461417
N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 26399006
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 167160693) is N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide is Nc1ccc(CCN(CCO)CCN2CCC(CNC(=O)c3cc4ccccc4[nH]3)C2)cn1.
What is the InChIKey of N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is VMUOXRNQIGOWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c26-24-6-5-19(16-27-24)7-9-30(13-14-32)11-12-31-10-8-20(18-31)17-28-25(33)23-15-21-3-1-2-4-22(21)29-23/h1-6,15-16,20,29,32H,7-14,17-18H2,(H2,26,27)(H,28,33).
What are the key properties of N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 1.73, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(6-amino-3-pyridinyl)ethyl-(2-hydroxyethyl)amino]ethyl]pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167160693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).