2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide

C20H26N8O — CID 143907941

IUPAC2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCN/C=C\C(N)=N\c1cc(-c2cc(C(=O)NC)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C20H26N8O/c1-22-5-4-17(21)27-18-12-14(3-6-25-18)16-11-15(20(29)23-2)13-19(26-16)28-9-7-24-8-10-28/h3-6,11-13,22,24H,7-10H2,1-2H3,(H,23,29)(H2,21,25,27)/b5-4-
InChIKeyOHNQUCSNYSITEG-PLNGDYQASA-N
MW394.48 g/mol
LogP0.63
Rot. Bonds6

About 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide

2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 143907941) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID143907941
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCN/C=C\C(N)=N\c1cc(-c2cc(C(=O)NC)cc(N3CCNCC3)n2)ccn1
InChIInChI=1S/C20H26N8O/c1-22-5-4-17(21)27-18-12-14(3-6-25-18)16-11-15(20(29)23-2)13-19(26-16)28-9-7-24-8-10-28/h3-6,11-13,22,24H,7-10H2,1-2H3,(H,23,29)(H2,21,25,27)/b5-4-
InChIKeyOHNQUCSNYSITEG-PLNGDYQASA-N
XLogP0.63
TPSA120.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide (CID 143907941) is 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide is CN/C=C\C(N)=N\c1cc(-c2cc(C(=O)NC)cc(N3CCNCC3)n2)ccn1.
What is the InChIKey of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is OHNQUCSNYSITEG-PLNGDYQASA-N. The full InChI is InChI=1S/C20H26N8O/c1-22-5-4-17(21)27-18-12-14(3-6-25-18)16-11-15(20(29)23-2)13-19(26-16)28-9-7-24-8-10-28/h3-6,11-13,22,24H,7-10H2,1-2H3,(H,23,29)(H2,21,25,27)/b5-4-.
What are the key properties of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 143907941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).