N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine

C26H41N7O2 — CID 177040477

IUPACN-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine
SMILESCCCC(=O)Nc1cc(/C=C(/C)N)nnc1OC.CCCc1c(N2CCNC(C)C2)ccnc1C
InChIInChI=1S/C14H23N3.C12H18N4O2/c1-4-5-13-12(3)16-7-6-14(13)17-9-8-15-11(2)10-17;1-4-5-11(17)14-10-7-9(6-8(2)13)15-16-12(10)18-3/h6-7,11,15H,4-5,8-10H2,1-3H3;6-7H,4-5,13H2,1-3H3,(H,14,15,17)/b;8-6-
InChIKeyAINYLSCXMFAVFN-SEUOEIGTSA-N
MW483.66 g/mol
LogP3.68
Rot. Bonds8

About N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine

N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine (PubChem CID 177040477) has the molecular formula C26H41N7O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine.

Molecular Properties

Compound NameN-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine
PubChem CID177040477
Molecular FormulaC26H41N7O2
Molecular Weight483.66 g/mol
Exact Mass483.33
IUPAC NameN-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine
SMILESCCCC(=O)Nc1cc(/C=C(/C)N)nnc1OC.CCCc1c(N2CCNC(C)C2)ccnc1C
InChIInChI=1S/C14H23N3.C12H18N4O2/c1-4-5-13-12(3)16-7-6-14(13)17-9-8-15-11(2)10-17;1-4-5-11(17)14-10-7-9(6-8(2)13)15-16-12(10)18-3/h6-7,11,15H,4-5,8-10H2,1-3H3;6-7H,4-5,13H2,1-3H3,(H,14,15,17)/b;8-6-
InChIKeyAINYLSCXMFAVFN-SEUOEIGTSA-N
XLogP3.68
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The IUPAC name of N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine (CID 177040477) is N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine.
What is the SMILES notation for N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The canonical SMILES for N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine is CCCC(=O)Nc1cc(/C=C(/C)N)nnc1OC.CCCc1c(N2CCNC(C)C2)ccnc1C.
What is the InChIKey of N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The InChIKey is AINYLSCXMFAVFN-SEUOEIGTSA-N. The full InChI is InChI=1S/C14H23N3.C12H18N4O2/c1-4-5-13-12(3)16-7-6-14(13)17-9-8-15-11(2)10-17;1-4-5-11(17)14-10-7-9(6-8(2)13)15-16-12(10)18-3/h6-7,11,15H,4-5,8-10H2,1-3H3;6-7H,4-5,13H2,1-3H3,(H,14,15,17)/b;8-6-.
What are the key properties of N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine has a molecular weight of 483.66 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine is sourced from PubChem (CID 177040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).