2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

C25H34N6O — CID 142594524

IUPAC2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESC/C(N)=C1\C=C(c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)C=CN1N
InChIInChI=1S/C25H34N6O/c1-15(2)24-20-12-18(17-6-9-30(10-7-17)14-23(27)32)4-5-21(20)29-25(24)19-8-11-31(28)22(13-19)16(3)26/h4-5,8,11-13,15,17,29H,6-7,9-10,14,26,28H2,1-3H3,(H2,27,32)/b22-16-
InChIKeyNCERFXQBYSUBBU-JWGURIENSA-N
MW434.59 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 142594524) 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-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
PubChem CID142594524
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESC/C(N)=C1\C=C(c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)C=CN1N
InChIInChI=1S/C25H34N6O/c1-15(2)24-20-12-18(17-6-9-30(10-7-17)14-23(27)32)4-5-21(20)29-25(24)19-8-11-31(28)22(13-19)16(3)26/h4-5,8,11-13,15,17,29H,6-7,9-10,14,26,28H2,1-3H3,(H2,27,32)/b22-16-
InChIKeyNCERFXQBYSUBBU-JWGURIENSA-N
XLogP3.23
TPSA117.40 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 ≤ 53.23
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-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 142594328
2-[4-[2-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 170760467
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
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-(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
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 159857564
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-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
(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]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide;oxo-bis(phenylmethoxy)phosphanium
CID 164998162

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of 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) is 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is C/C(N)=C1\C=C(c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)C=CN1N.
What is the InChIKey of 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is NCERFXQBYSUBBU-JWGURIENSA-N. The full InChI is InChI=1S/C25H34N6O/c1-15(2)24-20-12-18(17-6-9-30(10-7-17)14-23(27)32)4-5-21(20)29-25(24)19-8-11-31(28)22(13-19)16(3)26/h4-5,8,11-13,15,17,29H,6-7,9-10,14,26,28H2,1-3H3,(H2,27,32)/b22-16-.
What are the key properties of 2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 3.23, 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-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142594524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).