2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide

C25H34N6O — CID 142594328

IUPAC2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(C4=C/C(=C/N)N(N)C=C4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C25H34N6O/c1-16(2)24-21-13-18(17-6-9-30(10-7-17)15-23(32)28-3)4-5-22(21)29-25(24)19-8-11-31(27)20(12-19)14-26/h4-5,8,11-14,16-17,29H,6-7,9-10,15,26-27H2,1-3H3,(H,28,32)/b20-14-
InChIKeyXOAXLSFMZFGABF-ZHZULCJRSA-N
MW434.59 g/mol
LogP3.10
Rot. Bonds5

About 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide

2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 142594328) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID142594328
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(C4=C/C(=C/N)N(N)C=C4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C25H34N6O/c1-16(2)24-21-13-18(17-6-9-30(10-7-17)15-23(32)28-3)4-5-22(21)29-25(24)19-8-11-31(27)20(12-19)14-26/h4-5,8,11-14,16-17,29H,6-7,9-10,15,26-27H2,1-3H3,(H,28,32)/b20-14-
InChIKeyXOAXLSFMZFGABF-ZHZULCJRSA-N
XLogP3.10
TPSA103.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594524
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594622
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
N-(2-hydroxyethyl)-N-methyl-2-[8-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155796975
2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655579
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458
(Z)-3-[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-hydrazinylprop-1-en-2-amine
CID 166839216
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 134329692
2-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142593912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide (CID 142594328) is 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(C4=C/C(=C/N)N(N)C=C4)c(C(C)C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is XOAXLSFMZFGABF-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H34N6O/c1-16(2)24-21-13-18(17-6-9-30(10-7-17)15-23(32)28-3)4-5-22(21)29-25(24)19-8-11-31(27)20(12-19)14-26/h4-5,8,11-14,16-17,29H,6-7,9-10,15,26-27H2,1-3H3,(H,28,32)/b20-14-.
What are the key properties of 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 434.59 g/mol, XLogP of 3.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 142594328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).